data_2mey_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 2mey _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.2 mt . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.572 HD12 ' CD1' ' A' ' 90' ' ' TYR . 35.3 mm -69.54 -29.32 41.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.551 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.673 ' HA ' ' ND2' ' A' ' 23' ' ' ASN . 11.2 mm-40 -65.57 -40.42 92.74 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.083 178.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.87 -48.59 76.08 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 178.122 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.41 ' O ' HG12 ' A' ' 26' ' ' ILE . . . -53.34 -48.77 68.22 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.539 178.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.673 ' ND2' ' HA ' ' A' ' 20' ' ' GLU . 10.9 p30 -71.98 -26.01 62.08 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 120.002 -0.679 . . . . 0.0 110.785 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -70.76 -51.6 26.12 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.837 178.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.23 -46.59 88.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.202 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.456 HG12 ' HA ' ' A' ' 23' ' ' ASN . 34.4 pt -66.33 -33.09 61.21 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.457 0 C-N-CA 120.416 -0.514 . . . . 0.0 111.756 -178.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -63.05 -44.48 95.74 Favored 'General case' 0 C--O 1.24 0.59 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 176.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -66.99 -46.02 75.85 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.379 178.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.56 -44.3 97.92 Favored Glycine 0 C--O 1.219 -0.829 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.731 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -58.87 -45.99 88.88 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.183 0.516 . . . . 0.0 110.506 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 -64.52 -42.78 95.56 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.381 -178.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.64 -33.43 62.55 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.096 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.401 HD23 HD21 ' A' ' 104' ' ' LEU . 2.3 tm? -64.67 -49.24 71.74 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 178.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 pp -65.88 -31.38 72.29 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.152 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -65.67 -55.61 16.55 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.501 179.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -66.38 -32.43 73.81 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.373 -178.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -64.96 -39.75 93.96 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 120.986 0.422 . . . . 0.0 110.376 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -66.66 -31.46 72.15 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 121.668 0.747 . . . . 0.0 109.389 174.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -70.15 -36.04 74.47 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.94 177.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.46 ' O ' HD12 ' A' ' 40' ' ' LEU . 1.4 tm? -53.25 -45.83 68.93 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 173.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -59.42 -41.2 88.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.238 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -68.6 -45.67 71.33 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.498 0.666 . . . . 0.0 110.02 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.9 tp -57.14 -40.55 77.42 Favored 'General case' 0 C--O 1.213 -0.822 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.886 177.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.539 ' O ' ' HE2' ' A' ' 47' ' ' LYS . 5.9 t-20 -61.63 -28.15 69.17 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-O 121.431 0.634 . . . . 0.0 110.418 -179.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -82.76 -45.19 14.69 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.911 177.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -75.68 -33.68 60.4 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.989 -0.55 . . . . 0.0 112.03 -176.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.539 ' HE2' ' O ' ' A' ' 44' ' ' ASN . 72.8 mmtt 57.13 19.57 4.89 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.211 -176.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 41.5 t -68.48 126.71 30.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.896 -176.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.538 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -63.53 -44.81 93.14 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.795 179.142 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -66.93 -36.78 83.0 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 121.057 -0.257 . . . . 0.0 111.087 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 50.8 tp -67.55 -39.45 84.98 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -59.04 -44.74 91.81 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.994 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -63.72 -45.55 89.44 Favored 'General case' 0 N--CA 1.432 -1.343 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.617 -178.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -61.74 -46.88 87.71 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.956 0.408 . . . . 0.0 110.342 178.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 68.4 mt -60.24 -49.11 85.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.714 -178.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 14.9 tt -68.31 -31.92 53.48 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.971 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -68.57 -44.66 73.95 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.297 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -71.1 -33.61 70.34 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.349 178.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.2 tt -63.17 -47.06 84.25 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 177.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -59.57 -53.53 57.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.785 -1.098 . . . . 0.0 112.469 -178.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 32.7 m -62.22 -39.44 84.03 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -176.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 84.1 t -73.79 -37.5 48.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.724 0.297 . . . . 0.0 110.485 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 46.1 t -62.61 -41.27 98.9 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.177 0.513 . . . . 0.0 109.785 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.29 -50.48 63.54 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.908 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.1 ptp -62.72 -39.06 92.87 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.588 -178.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.415 ' O ' ' HB2' ' A' ' 70' ' ' GLN . 1.4 mp -64.44 -43.0 96.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.23 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -69.4 -37.65 77.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.838 0.351 . . . . 0.0 111.513 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.32 -45.91 88.87 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.644 -0.789 . . . . 0.0 111.902 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.39 -37.13 74.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.571 -0.315 . . . . 0.0 110.194 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.455 ' OE1' ' HB2' ' A' ' 97' ' ' SER . 4.0 tt0 -63.09 -47.72 81.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.98 0.419 . . . . 0.0 110.214 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.34 -39.16 97.49 Favored Glycine 0 C--O 1.245 0.838 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.541 -177.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.51 -53.16 38.0 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 114.825 -0.687 . . . . 0.0 109.372 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.506 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 43.9 tp -55.55 -49.62 72.21 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.716 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 49.6 mt-10 -54.33 -50.22 67.9 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.063 0.458 . . . . 0.0 111.098 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -58.49 -43.4 89.01 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.707 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -70.02 -54.6 12.45 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.854 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 3.6 pp -56.0 -20.25 15.82 Favored 'General case' 0 C--O 1.222 -0.376 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.008 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 28.6 mmtm -67.72 -14.31 62.84 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 . . . . . 0 C--O 1.233 0.199 0 CA-C-O 121.101 0.477 . . . . 0.0 110.311 179.604 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 59.8 tp . . . . . 0 CA--C 1.514 -0.436 0 CA-C-O 120.892 0.377 . . . . 0.0 110.036 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -59.58 -37.11 77.63 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.472 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -56.95 -51.7 68.13 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.117 0.484 . . . . 0.0 110.168 176.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -59.38 -45.64 90.88 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.476 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -65.08 -47.31 77.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.382 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.572 ' CD1' HD12 ' A' ' 19' ' ' ILE . 4.4 m-30 -54.88 -52.72 61.97 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.041 0.448 . . . . 0.0 111.021 177.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -57.71 -36.95 72.69 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.175 178.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -69.64 -40.98 76.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.677 -179.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.99 -42.25 97.25 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.655 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -61.18 -38.16 85.52 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.841 177.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.461 ' O ' HG13 ' A' ' 99' ' ' ILE . 93.2 m -61.89 -50.54 71.81 Favored 'General case' 0 N--CA 1.436 -1.155 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.423 178.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 89.2 mt -71.78 -37.84 70.4 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.712 -176.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.455 ' HB2' ' OE1' ' A' ' 70' ' ' GLN . 16.3 p -61.91 -44.19 97.3 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 121.053 0.454 . . . . 0.0 110.715 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -59.67 -42.49 92.99 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.358 178.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 95' ' ' THR . 82.2 mt -62.26 -45.12 99.49 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 CA-C-O 121.343 0.592 . . . . 0.0 110.243 178.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.407 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 0.8 OUTLIER -58.81 -51.02 71.79 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.454 179.65 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 92.1 mt -59.61 -40.96 89.26 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.57 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -55.86 -52.71 63.11 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 176.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.3 -33.61 72.61 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 112.308 0.485 . . . . 0.0 112.308 -178.126 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 100' ' ' LEU . 91.7 mt -61.51 -55.11 34.67 Favored 'General case' 0 CA--C 1.519 -0.238 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.399 177.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.452 ' O ' ' HB3' ' A' ' 108' ' ' GLU . 25.6 mtpp -68.56 -22.27 64.49 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.678 -178.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -71.38 -43.98 65.83 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 177.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 22.9 m -67.55 -39.38 84.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.185 -0.916 . . . . 0.0 108.573 176.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.452 ' HB3' ' O ' ' A' ' 105' ' ' LYS . 25.3 tt0 -51.47 -50.65 59.4 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.694 173.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.526 ' HA ' ' HD3' ' A' ' 112' ' ' LYS . 41.5 tt0 -54.06 -39.84 66.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.368 177.27 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -68.51 -48.4 64.48 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 13.9 p -62.82 -40.49 88.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.961 -178.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.526 ' HD3' ' HA ' ' A' ' 109' ' ' GLN . 14.5 ptmm? -70.99 -23.08 62.12 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.549 177.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -79.99 -25.77 40.17 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -178.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -73.54 122.8 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 178.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -79.48 123.35 27.47 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.305 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 64.6 p -116.04 178.28 4.37 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.273 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.652 -178.447 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.457 HD13 ' HA ' ' A' ' 77' ' ' LEU . 69.4 mt . . . . . 0 N--CA 1.466 0.349 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.562 HD13 ' CD1' ' A' ' 90' ' ' TYR . 24.1 mm -64.05 -37.08 78.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 C-N-CA 121.071 -0.252 . . . . 0.0 111.305 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -61.2 -46.12 91.76 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.071 0.463 . . . . 0.0 109.807 178.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -62.66 -31.39 72.26 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.356 178.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.79 -39.78 56.3 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.398 0.618 . . . . 0.0 110.187 178.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -65.14 -38.11 89.57 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 115.023 -0.989 . . . . 0.0 110.164 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -64.25 -48.34 76.16 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.052 177.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.85 -50.47 73.65 Favored 'General case' 0 CA--C 1.528 0.097 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 179.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 41.4 pt -64.77 -31.29 53.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.339 -178.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -62.98 -51.74 65.69 Favored 'General case' 0 C--O 1.246 0.897 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 176.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -61.69 -46.05 91.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.03 178.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.461 ' O ' ' HG3' ' A' ' 32' ' ' GLN . . . -59.36 -42.17 97.31 Favored Glycine 0 N--CA 1.447 -0.604 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.714 -179.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.505 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 11.4 tp10 -56.88 -55.88 28.77 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 123.263 0.625 . . . . 0.0 111.038 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -62.9 -41.93 99.61 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.035 -176.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 5.1 pp0? -69.99 -31.46 69.16 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 116.715 -0.22 . . . . 0.0 111.034 -178.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.526 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 1.4 tm? -67.27 -45.12 77.58 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 30' ' ' GLU . 62.0 mt -63.02 -31.44 72.58 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 178.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -64.78 -52.15 58.43 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.562 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.7 mt -61.74 -33.31 73.83 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.528 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.526 ' HG3' ' O ' ' A' ' 33' ' ' LEU . 91.7 mt-30 -58.39 -39.5 79.83 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.042 0.449 . . . . 0.0 110.191 178.132 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.474 ' HD2' ' O ' ' A' ' 34' ' ' LEU . 35.5 m-70 -67.33 -36.89 82.37 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.743 178.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -66.46 -42.76 87.08 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.148 178.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -50.92 -46.73 60.86 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.487 175.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -58.09 -45.33 87.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.864 178.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -64.73 -42.15 95.43 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 121.33 0.586 . . . . 0.0 110.19 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.412 ' CD2' HG11 ' A' ' 111' ' ' VAL . 49.5 tp -55.58 -37.58 68.27 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.909 178.075 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -59.54 -38.22 80.47 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.701 0.286 . . . . 0.0 111.451 177.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -81.15 -47.78 13.01 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -179.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -77.13 -34.3 56.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.759 0.314 . . . . 0.0 111.352 -175.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.505 ' HZ2' ' HB2' ' A' ' 47' ' ' LYS . 0.0 OUTLIER 58.81 24.6 12.54 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.214 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.1 t -69.85 123.33 21.19 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.188 -177.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.457 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -60.18 -39.95 88.3 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 121.086 0.469 . . . . 0.0 110.399 176.421 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -63.98 -44.2 93.43 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.199 179.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.47 ' O ' HG13 ' A' ' 55' ' ' ILE . 54.8 tp -63.25 -42.3 99.17 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.181 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -56.87 -49.14 76.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.82 -42.38 99.7 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.72 -178.354 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.41 ' HA ' ' HE2' ' A' ' 54' ' ' LYS . 6.9 mmpt? -62.99 -44.02 97.19 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.964 0.411 . . . . 0.0 110.123 178.081 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 51' ' ' LEU . 83.8 mt -61.14 -48.94 86.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.595 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 75.1 mt -62.93 -40.65 89.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.454 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -68.32 -41.53 80.7 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -177.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.409 ' O ' HG12 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -73.86 -34.55 64.54 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.189 -0.605 . . . . 0.0 110.87 178.107 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.478 HD23 ' SG ' ' A' ' 63' ' ' CYS . 5.6 tt -61.93 -44.88 95.86 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 178.328 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -62.18 -48.39 80.24 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.337 -0.847 . . . . 0.0 112.164 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.409 HG12 ' O ' ' A' ' 58' ' ' GLU . 11.5 p -62.36 -36.06 72.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 CA-C-O 120.836 0.35 . . . . 0.0 111.372 -176.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.402 HG11 ' CD ' ' A' ' 32' ' ' GLN . 98.8 t -73.24 -38.51 54.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.14 178.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.478 ' SG ' HD23 ' A' ' 59' ' ' LEU . 90.1 m -62.78 -41.27 99.17 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-O 120.842 0.353 . . . . 0.0 110.359 179.069 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.96 -45.06 83.15 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.345 -178.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 21.8 ptp -68.52 -35.1 77.0 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.351 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.4 mp -69.3 -45.34 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 178.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.475 ' HA ' ' HG2' ' A' ' 70' ' ' GLN . 47.0 mt-10 -66.17 -35.15 79.72 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 121.077 0.465 . . . . 0.0 110.618 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -69.04 -45.87 60.99 Favored Glycine 0 N--CA 1.446 -0.642 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.513 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.1 -42.03 73.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.993 -0.103 . . . . 0.0 110.985 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.475 ' HG2' ' HA ' ' A' ' 67' ' ' GLU . 13.5 pt20 -62.99 -38.91 93.07 Favored 'General case' 0 C--O 1.216 -0.679 0 C-N-CA 120.467 -0.493 . . . . 0.0 109.843 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -64.5 -40.75 97.92 Favored Glycine 0 C--N 1.336 0.531 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.65 -52.35 52.37 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 179.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.587 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 61.2 mt -54.81 -51.35 66.1 Favored 'General case' 0 CA--C 1.504 -0.807 0 CA-C-N 115.149 -0.932 . . . . 0.0 112.031 178.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 44.0 mt-10 -53.72 -52.36 60.36 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 123.426 0.454 . . . . 0.0 111.482 -176.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 60.7 mtt85 -59.18 -39.94 84.11 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.123 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -70.83 -55.42 8.56 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 3.8 pp -57.7 -21.13 38.77 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -179.179 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.421 ' HA ' ' HD3' ' A' ' 78' ' ' LYS . 51.9 mmtt -68.21 -15.37 63.55 Favored 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 179.082 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 21.8 mmt85 . . . . . 0 N--CA 1.463 0.186 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.542 -179.407 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.8 tt . . . . . 0 N--CA 1.451 -0.416 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -54.02 -55.88 23.12 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.211 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -58.74 -46.96 86.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.849 0.357 . . . . 0.0 111.412 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -61.73 -44.31 97.17 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.53 -178.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -68.7 -48.16 64.57 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.714 -178.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.562 ' CD1' HD13 ' A' ' 19' ' ' ILE . 4.2 m-30 -54.13 -53.82 47.98 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.739 178.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -57.58 -35.98 71.09 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.515 178.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -71.5 -46.45 59.69 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.476 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.24 -41.0 99.02 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.206 0.527 . . . . 0.0 109.664 -179.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -63.67 -38.53 91.46 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.933 178.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.598 ' O ' HD13 ' A' ' 99' ' ' ILE . 54.6 m -59.7 -47.49 85.42 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.342 176.13 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.461 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 84.9 mt -67.96 -40.67 83.15 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.568 -178.04 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 60.4 p -59.67 -48.7 80.62 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 120.75 0.309 . . . . 0.0 111.318 -178.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.44 ' O ' ' HG3' ' A' ' 102' ' ' LYS . 99.7 mttt -61.94 -38.16 87.42 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.062 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.598 HD13 ' O ' ' A' ' 95' ' ' THR . 1.6 mp -63.24 -41.59 93.35 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-O 120.828 0.346 . . . . 0.0 110.162 177.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 96' ' ' LEU . 96.6 mt -60.66 -49.52 77.2 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.554 178.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.444 ' O ' ' HD2' ' A' ' 105' ' ' LYS . 4.3 mm? -57.4 -43.11 83.45 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.128 179.145 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 98' ' ' LYS . 49.3 mtmt -59.67 -43.32 94.03 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 121.166 -0.213 . . . . 0.0 110.946 177.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -68.61 -35.74 77.73 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.379 -0.528 . . . . 0.0 110.913 -178.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.465 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 4.2 mm? -63.48 -46.31 86.73 Favored 'General case' 0 C--N 1.345 0.4 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.005 175.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.444 ' HD2' ' O ' ' A' ' 101' ' ' LEU . 0.3 OUTLIER -57.32 -35.48 69.92 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.774 177.038 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 110' ' ' LYS . 33.1 tt0 -70.62 -43.78 68.58 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.766 178.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.447 ' O ' HG21 ' A' ' 111' ' ' VAL . 0.7 OUTLIER -63.7 -53.95 43.16 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 121.053 -0.259 . . . . 0.0 111.422 -178.703 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.635 ' O ' ' HG2' ' A' ' 112' ' ' LYS . 9.3 pt-20 -51.52 -48.64 62.89 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 123.096 0.248 . . . . 0.0 110.93 178.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.401 ' N ' ' HG3' ' A' ' 108' ' ' GLU . 34.1 tt0 -56.21 -44.63 79.69 Favored 'General case' 0 C--O 1.223 -0.331 0 C-N-CA 123.162 0.585 . . . . 0.0 111.336 178.176 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 106' ' ' GLU . 52.9 mtmt -66.42 -40.89 89.81 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-O 121.239 0.543 . . . . 0.0 111.086 178.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.447 HG21 ' O ' ' A' ' 107' ' ' THR . 78.5 t -58.49 -50.55 78.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.357 177.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.635 ' HG2' ' O ' ' A' ' 108' ' ' GLU . 14.3 ptmt -74.61 -13.91 60.71 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.274 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -73.59 -29.37 62.36 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.983 177.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.4 mp -71.06 121.0 20.04 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 176.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -75.76 125.15 28.52 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.003 0.43 . . . . 0.0 110.628 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.436 HG21 ' O ' ' A' ' 47' ' ' LYS . 25.2 p -117.25 -173.73 2.47 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.871 178.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.455 ' OXT' ' HD2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.796 0 CA-C-O 118.612 -0.709 . . . . 0.0 110.338 -178.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.3 mm? . . . . . 0 CA--C 1.517 -0.305 0 CA-C-O 121.311 0.577 . . . . 0.0 109.632 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.416 HG22 HD12 ' A' ' 19' ' ' ILE . 20.3 mm -67.59 -34.97 71.48 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.563 179.284 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -57.34 -41.97 81.07 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.915 0.388 . . . . 0.0 110.447 177.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -67.2 -52.75 37.36 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.182 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.428 ' O ' HG12 ' A' ' 26' ' ' ILE . . . -56.62 -47.9 78.67 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.525 178.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -56.93 -42.29 79.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.563 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -71.21 -40.19 71.28 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.953 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.22 -45.51 80.44 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.428 HG12 ' O ' ' A' ' 22' ' ' ALA . 34.5 pt -66.93 -33.93 66.62 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.157 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.764 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -63.83 -45.67 88.52 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 176.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -66.36 -42.23 88.36 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.691 178.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.461 ' O ' ' HG3' ' A' ' 32' ' ' GLN . . . -60.62 -45.37 96.47 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 116.221 -0.445 . . . . 0.0 112.19 178.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.477 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 45.8 tt0 -57.11 -47.99 79.74 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.09 0.471 . . . . 0.0 110.674 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -66.47 -40.74 89.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.655 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -71.93 -28.14 63.27 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.941 -179.659 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -67.03 -42.91 84.08 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 175.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 30' ' ' GLU . 89.2 mt -65.06 -31.12 72.18 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.412 178.097 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -69.58 -55.24 10.68 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.786 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.445 HD13 ' OE1' ' A' ' 39' ' ' GLN . 3.8 mm? -59.94 -34.92 73.9 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.036 0.446 . . . . 0.0 110.803 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -59.78 -34.39 72.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.982 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -69.34 -43.3 73.93 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.107 177.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.445 ' OE1' HD13 ' A' ' 36' ' ' LEU . 90.9 mt-30 -58.01 -45.0 87.56 Favored 'General case' 0 CA--C 1.522 -0.102 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.854 177.146 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.7 tp -52.36 -49.02 65.19 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.072 176.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -58.14 -38.8 77.27 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 121.299 0.571 . . . . 0.0 110.476 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.421 ' HB3' ' O ' ' A' ' 39' ' ' GLN . 9.1 tp10 -64.15 -44.16 92.98 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.471 179.096 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.8 tp -63.83 -34.03 77.01 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.928 -177.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.439 ' O ' ' HE3' ' A' ' 47' ' ' LYS . 72.9 m-20 -58.89 -33.76 70.88 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.123 0.487 . . . . 0.0 110.89 -178.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -86.26 -44.03 12.47 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.772 -178.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.431 ' HB3' ' OG ' ' A' ' 48' ' ' SER . 78.9 m-20 -78.39 -35.89 46.6 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -175.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.439 ' HE3' ' O ' ' A' ' 44' ' ' ASN . 34.0 mmtp 58.79 19.05 6.56 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.162 -176.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.431 ' OG ' ' HB3' ' A' ' 46' ' ' ASN . 15.8 m -64.91 118.82 9.61 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.651 -177.51 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.7 pttt -58.17 -47.52 83.12 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.606 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -63.49 -37.1 86.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.959 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.497 ' O ' HG13 ' A' ' 55' ' ' ILE . 55.2 tp -66.08 -43.38 87.52 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 177.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -58.11 -47.25 83.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.914 178.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.446 ' O ' ' HD3' ' A' ' 57' ' ' ARG . 40.6 mt-10 -62.53 -43.8 97.93 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.491 -179.227 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -59.82 -46.47 89.15 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.837 0.351 . . . . 0.0 110.461 177.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.497 HG13 ' O ' ' A' ' 51' ' ' LEU . 82.5 mt -59.31 -53.24 50.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.157 -179.048 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.4 tp -70.38 -34.07 56.6 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.857 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -177.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.446 ' HD3' ' O ' ' A' ' 53' ' ' GLU . 7.2 mpt_? -67.48 -52.58 37.58 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.621 0.248 . . . . 0.0 110.982 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.413 ' O ' HG22 ' A' ' 62' ' ' VAL . 42.3 mt-10 -70.32 -31.77 69.23 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.944 -0.303 . . . . 0.0 111.11 -178.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 65.6 tp -61.58 -44.52 96.86 Favored 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 176.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -60.45 -43.96 96.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.632 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 90.5 t -60.66 -44.37 96.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 CA-C-O 120.985 0.422 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 58' ' ' GLU . 60.4 t -67.19 -38.95 82.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.447 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.472 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 72.8 m -62.8 -41.56 99.34 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.994 0.426 . . . . 0.0 110.187 179.234 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.94 -49.62 69.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.878 -178.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 22.7 ptp -63.73 -34.68 78.42 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.497 -178.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.4 mp -67.17 -43.72 88.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.038 178.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.472 ' HG3' ' O ' ' A' ' 63' ' ' CYS . 48.4 mt-10 -65.36 -38.05 88.9 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 120.747 0.308 . . . . 0.0 111.381 -178.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.53 -47.87 60.07 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.705 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.37 -42.12 75.6 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 122.94 -0.153 . . . . 0.0 111.381 -178.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.614 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 13.1 pt20 -63.88 -37.53 87.75 Favored 'General case' 0 C--O 1.22 -0.483 0 C-N-CA 120.426 -0.509 . . . . 0.0 110.455 -179.06 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -70.16 -41.96 68.35 Favored Glycine 0 C--O 1.243 0.659 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.299 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.84 -54.5 25.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.134 -0.533 . . . . 0.0 110.256 -179.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.518 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 25.9 tp -57.34 -41.93 80.96 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.187 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.614 ' HB2' ' O ' ' A' ' 70' ' ' GLN . 0.7 OUTLIER -54.19 -50.51 66.88 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.243 0.544 . . . . 0.0 110.022 179.67 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -56.87 -43.1 80.88 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.754 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -71.49 -55.7 7.35 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.945 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 3.5 pp -58.38 -19.8 38.83 Favored 'General case' 0 CA--C 1.512 -0.505 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -177.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.416 ' N ' HD13 ' A' ' 77' ' ' LEU . 14.9 mmtp -64.06 -10.45 22.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.788 0.328 . . . . 0.0 111.79 -179.308 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 . . . . . 0 CA--C 1.534 0.349 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.307 179.749 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.451 -0.392 0 CA-C-O 120.688 0.28 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -60.82 -41.1 95.07 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.53 -178.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 19.2 tpp85 -58.26 -49.15 78.14 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 120.907 0.384 . . . . 0.0 110.134 178.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -60.1 -40.87 91.14 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.654 179.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -65.02 -51.72 60.02 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.716 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 8.3 m-30 -55.15 -55.25 33.32 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.41 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -60.21 -39.09 85.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.143 -178.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -66.39 -47.3 73.75 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.824 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.74 -43.88 90.35 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.84 0.352 . . . . 0.0 110.793 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -67.27 -32.94 74.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.467 ' O ' HG13 ' A' ' 99' ' ' ILE . 91.4 m -60.1 -49.98 75.5 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 174.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.444 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 79.4 mt -70.38 -35.13 73.33 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.262 -178.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.479 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 41.5 t -56.28 -52.14 65.6 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.511 178.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -63.52 -34.48 77.88 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.175 -179.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 95' ' ' THR . 88.2 mt -65.26 -44.9 94.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 CA-C-O 121.218 0.533 . . . . 0.0 109.88 178.48 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.464 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 98.8 mt -63.44 -42.19 98.68 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.78 179.342 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 97' ' ' SER . 96.3 mt -62.95 -41.71 99.59 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.122 178.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.6 tmmm? -62.26 -39.75 93.91 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.487 177.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -71.31 -34.94 71.06 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.412 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 100' ' ' LEU . 96.3 mt -62.83 -45.89 90.47 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 175.642 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.472 ' HA ' ' HG2' ' A' ' 108' ' ' GLU . 41.8 mttp -57.5 -31.74 66.32 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.402 177.17 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.529 ' O ' ' HE3' ' A' ' 110' ' ' LYS . 41.8 mm-40 -67.93 -41.57 82.37 Favored 'General case' 0 CA--C 1.511 -0.542 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.3 175.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.484 ' O ' HG23 ' A' ' 111' ' ' VAL . 25.2 m -66.59 -54.57 22.07 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -177.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.472 ' HG2' ' HA ' ' A' ' 105' ' ' LYS . 9.0 pt-20 -54.06 -51.39 64.24 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 111.728 0.269 . . . . 0.0 111.728 179.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.45 ' N ' ' HG3' ' A' ' 108' ' ' GLU . 16.1 mm-40 -61.83 -37.71 85.48 Favored 'General case' 0 C--O 1.226 -0.145 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -179.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.529 ' HE3' ' O ' ' A' ' 106' ' ' GLU . 0.0 OUTLIER -67.74 -42.82 81.23 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.329 0.585 . . . . 0.0 110.511 179.227 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 107' ' ' THR . 69.8 t -61.15 -43.1 95.66 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.171 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.85 178.138 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 108' ' ' GLU . 64.8 mttm -66.37 -25.19 66.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.278 177.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -74.81 -25.78 59.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.753 -178.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.5 mp -74.15 121.19 24.78 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 CA-C-O 121.244 0.545 . . . . 0.0 109.779 177.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -76.62 121.09 22.72 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.758 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 30.7 p -116.56 -174.95 2.66 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.605 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 . . . . . 0 C--O 1.246 0.876 0 O-C-N 123.96 0.788 . . . . 0.0 112.155 179.821 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 N--CA 1.473 0.701 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.527 HD11 ' CD1' ' A' ' 90' ' ' TYR . 23.6 mm -59.24 -37.23 67.68 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.151 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.12 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -57.51 -43.43 84.25 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.005 0.431 . . . . 0.0 110.507 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -50.01 74.58 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.901 179.357 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.66 -37.1 79.38 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.54 0.686 . . . . 0.0 110.739 -178.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -59.84 -42.31 93.3 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.417 -1.265 . . . . 0.0 111.106 -178.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 -77.11 -32.21 56.39 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 119.87 -0.732 . . . . 0.0 112.577 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.35 -44.88 93.55 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 118.541 0.61 . . . . 0.0 111.289 176.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 36.8 pt -67.15 -31.88 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.099 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.241 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -59.25 -44.02 92.4 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 121.473 0.654 . . . . 0.0 109.452 175.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -65.18 -44.0 89.88 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.969 177.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.561 ' O ' ' HG3' ' A' ' 32' ' ' GLN . . . -60.29 -45.89 95.29 Favored Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 116.039 -0.528 . . . . 0.0 113.618 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -64.38 -37.24 86.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.139 0.495 . . . . 0.0 110.883 -178.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -66.23 -48.71 69.66 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.668 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.561 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 1.0 OUTLIER -67.13 -33.85 76.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.134 179.475 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.45 HD12 ' OD1' ' A' ' 103' ' ' ASP . 2.2 tm? -62.47 -52.04 65.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.752 -0.204 . . . . 0.0 110.502 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.465 ' O ' ' HD2' ' A' ' 38' ' ' HIS . 4.6 pp -65.81 -27.62 68.39 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 120.371 -0.532 . . . . 0.0 110.336 -179.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -65.95 -54.4 26.78 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.813 178.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.37 -31.31 72.36 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.557 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -59.84 -39.2 84.32 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 121.157 0.503 . . . . 0.0 110.541 177.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.465 ' HD2' ' O ' ' A' ' 34' ' ' LEU . 43.2 m-70 -66.02 -34.61 78.48 Favored 'General case' 0 C--O 1.25 1.103 0 CA-C-O 121.518 0.675 . . . . 0.0 110.064 176.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -68.56 -41.95 79.03 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.607 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.3 tp -51.67 -46.31 63.73 Favored 'General case' 0 C--N 1.34 0.183 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.268 175.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -57.51 -42.76 83.42 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.016 0.436 . . . . 0.0 110.4 177.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -65.42 -45.42 83.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.051 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.1 tp -56.26 -40.68 74.6 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.997 178.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -58.92 -40.58 84.99 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.995 0.426 . . . . 0.0 111.302 178.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -81.12 -46.08 15.48 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.794 -176.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -77.26 -30.62 54.46 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.032 0.444 . . . . 0.0 110.604 -177.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.533 ' O ' HG23 ' A' ' 116' ' ' THR . 0.1 OUTLIER 57.27 27.06 13.09 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.271 179.75 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.3 t -67.65 121.5 16.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.155 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.611 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -62.52 -47.88 82.0 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.874 178.704 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.428 ' H ' ' HG2' ' A' ' 49' ' ' LYS . 15.8 pt-20 -63.97 -40.03 95.48 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.879 -179.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.412 ' O ' HG13 ' A' ' 55' ' ' ILE . 42.2 tp -60.53 -43.66 96.9 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 176.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -57.86 -45.54 86.15 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.757 178.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.48 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 42.4 tt0 -62.07 -46.08 90.69 Favored 'General case' 0 N--CA 1.438 -1.059 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.353 -178.217 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.465 ' HB3' ' HZ2' ' A' ' 54' ' ' LYS . 7.3 mtpm? -65.35 -42.9 92.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.677 0.275 . . . . 0.0 110.359 178.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 51' ' ' LEU . 66.3 mt -60.3 -51.1 76.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.193 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 15.4 tt -66.88 -31.94 55.75 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-O 120.727 0.298 . . . . 0.0 111.354 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.48 ' HB2' ' O ' ' A' ' 53' ' ' GLU . 4.9 tpt85 -68.87 -52.62 27.76 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.093 -178.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -64.94 -33.74 76.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.942 0.401 . . . . 0.0 109.92 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 52.8 tp -60.84 -46.78 89.2 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.927 179.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -64.97 -42.87 94.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.954 -178.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.8 t -62.9 -48.63 87.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 CA-C-O 120.964 0.411 . . . . 0.0 111.357 -178.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.425 ' HA ' ' HE2' ' A' ' 65' ' ' MET . 47.3 t -66.35 -33.55 64.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.327 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.767 ' SG ' ' HE2' ' A' ' 105' ' ' LYS . 51.7 t -66.32 -41.32 89.81 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.263 0.554 . . . . 0.0 109.964 177.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.52 -45.05 84.99 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.336 -177.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.425 ' HE2' ' HA ' ' A' ' 62' ' ' VAL . 21.9 ptp -65.87 -36.43 83.4 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.884 0.373 . . . . 0.0 110.347 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.3 mp -68.02 -41.72 84.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.877 178.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 63' ' ' CYS . 46.3 mt-10 -66.28 -35.54 80.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.132 0.491 . . . . 0.0 110.441 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -68.0 -47.44 59.89 Favored Glycine 0 N--CA 1.443 -0.888 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.189 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.455 ' O ' ' HG ' ' A' ' 73' ' ' LEU . . . -69.83 -39.31 76.52 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -58.63 -44.71 90.08 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-O 121.219 0.533 . . . . 0.0 109.642 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.19 -41.39 99.66 Favored Glycine 0 C--O 1.25 1.113 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.69 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.77 -57.36 7.22 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-N 114.89 -0.655 . . . . 0.0 111.12 -177.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.662 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 4.4 pp -62.95 -38.81 92.54 Favored 'General case' 0 C--O 1.215 -0.727 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.144 -178.195 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.533 ' N ' HD13 ' A' ' 73' ' ' LEU . 11.7 tp10 -55.44 -54.3 45.49 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.093 0.473 . . . . 0.0 110.722 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -62.49 -34.12 76.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.653 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -75.97 -55.21 5.83 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.783 -179.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.662 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 3.7 pp -57.39 -24.94 58.45 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -178.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.498 ' N ' HD13 ' A' ' 77' ' ' LEU . 14.0 mmtp -69.09 -31.87 70.89 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-O 121.075 0.465 . . . . 0.0 111.63 -178.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.468 ' O ' ' HD3' ' A' ' 79' ' ' ARG . 1.1 tmt_? . . . . . 0 C--N 1.325 -0.462 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.899 -176.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 50.8 tp . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 121.178 0.513 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 29.7 mp0 -58.76 -43.48 90.34 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.897 178.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 45.8 mtm180 -58.85 -45.24 90.55 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 121.178 0.513 . . . . 0.0 110.76 178.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -64.8 -38.6 91.54 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.185 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -66.12 -50.19 64.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.875 0.369 . . . . 0.0 110.533 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.527 ' CD1' HD11 ' A' ' 19' ' ' ILE . 4.0 m-30 -55.15 -48.87 73.1 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.629 177.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -57.33 -42.05 81.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.297 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -66.98 -37.01 83.46 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 120.919 0.39 . . . . 0.0 110.632 -179.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.38 -40.86 96.64 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.418 0.627 . . . . 0.0 109.42 177.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 90' ' ' TYR . 25.3 mt-30 -62.0 -39.12 91.14 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.541 176.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.459 ' O ' HG13 ' A' ' 99' ' ' ILE . 89.9 m -57.03 -50.21 73.43 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.604 178.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 87.7 mt -68.05 -39.23 83.07 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.724 -177.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.0 p -63.02 -41.52 99.56 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.027 0.442 . . . . 0.0 111.128 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.513 ' HE2' ' HA ' ' A' ' 98' ' ' LYS . 6.9 mmpt? -59.89 -44.68 94.09 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.995 178.227 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 95' ' ' THR . 84.1 mt -59.73 -44.37 93.59 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.91 178.131 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 66.6 tp -60.04 -51.98 67.34 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.209 -0.905 . . . . 0.0 112.138 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.95 -38.05 89.64 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.976 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -62.95 -50.46 70.71 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 110.509 -0.182 . . . . 0.0 110.509 177.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.45 ' OD1' HD12 ' A' ' 33' ' ' LEU . 5.3 t70 -62.81 -34.69 77.82 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -63.07 -53.67 50.12 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.766 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.767 ' HE2' ' SG ' ' A' ' 63' ' ' CYS . 5.4 mptp? -60.93 -31.85 71.37 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.948 178.524 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -64.95 -36.47 84.48 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 177.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 26.8 m -64.69 -47.5 78.14 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.228 177.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -51.11 -49.47 60.69 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 123.779 0.831 . . . . 0.0 110.998 176.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.534 ' O ' ' HG2' ' A' ' 112' ' ' LYS . 30.8 tt0 -59.94 -39.41 85.45 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.168 178.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.4 ' O ' ' HB3' ' A' ' 113' ' ' ASP . 96.0 mttt -71.12 -43.54 67.42 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -177.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 34.6 m -62.41 -40.36 87.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 CA-C-O 120.757 0.313 . . . . 0.0 110.733 178.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.534 ' HG2' ' O ' ' A' ' 109' ' ' GLN . 11.5 ptmm? -76.94 -15.07 59.77 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 120.991 0.424 . . . . 0.0 110.687 177.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.4 ' HB3' ' O ' ' A' ' 110' ' ' LYS . 31.8 t70 -74.32 -30.12 61.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.02 178.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.5 mp -66.79 124.19 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-O 120.924 0.393 . . . . 0.0 109.995 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -79.51 122.25 26.22 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.306 -0.406 . . . . 0.0 109.911 178.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.533 HG23 ' O ' ' A' ' 47' ' ' LYS . 3.3 p -127.9 -164.35 1.36 Allowed 'General case' 0 C--N 1.309 -1.188 0 O-C-N 122.337 -0.227 . . . . 0.0 110.87 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.449 ' HB2' ' HD2' ' A' ' 49' ' ' LYS . 53.5 mt-30 . . . . . 0 C--O 1.246 0.91 0 CA-C-O 118.435 -0.793 . . . . 0.0 110.399 178.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.1 mt . . . . . 0 CA--C 1.528 0.121 0 CA-C-O 120.714 0.292 . . . . 0.0 111.258 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.55 HD11 ' CD1' ' A' ' 90' ' ' TYR . 19.9 mm -62.69 -45.3 99.17 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.346 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.68 178.129 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -58.79 -35.88 73.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.132 0.492 . . . . 0.0 110.81 179.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -68.65 -49.84 55.9 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.749 178.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.93 -40.74 89.95 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.572 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -65.45 -35.54 81.22 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.005 -179.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -70.78 -37.92 73.38 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.155 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.78 -47.83 84.11 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.765 177.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 31.5 pt -64.74 -34.68 71.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 C-N-CA 120.749 -0.381 . . . . 0.0 111.109 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -54.64 -52.53 62.0 Favored 'General case' 0 C--O 1.245 0.855 0 CA-C-O 121.253 0.549 . . . . 0.0 109.874 175.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -62.3 -43.24 99.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.489 179.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.48 -44.84 90.28 Favored Glycine 0 C--N 1.337 0.638 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.541 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.414 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 44.3 mt-10 -61.34 -42.76 99.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.026 0.441 . . . . 0.0 110.985 -179.596 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 39.0 t-80 -66.54 -47.65 72.2 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.339 -178.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.18 -31.83 68.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.384 -178.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.415 ' O ' HD23 ' A' ' 33' ' ' LEU . 1.4 tm? -67.21 -48.84 66.67 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.616 0.246 . . . . 0.0 110.567 178.355 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 30' ' ' GLU . 78.4 mt -65.19 -31.21 72.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.162 0.506 . . . . 0.0 109.861 -179.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -67.65 -54.62 18.08 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.81 179.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.2 mt -60.52 -30.13 69.55 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.291 -0.413 . . . . 0.0 112.028 -178.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -57.45 -31.77 66.27 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 120.834 0.349 . . . . 0.0 110.842 177.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 36.7 t60 -66.92 -43.72 82.58 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 177.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -57.81 -44.46 86.38 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.946 176.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.408 HD21 ' C ' ' A' ' 40' ' ' LEU . 8.2 tt -50.23 -49.2 53.65 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 123.181 0.592 . . . . 0.0 110.925 175.155 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -56.51 -40.9 75.8 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.113 0.482 . . . . 0.0 110.512 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -68.41 -41.74 80.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.361 178.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.0 tp -56.64 -39.4 73.6 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.765 177.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.526 ' OD1' HD11 ' A' ' 114' ' ' ILE . 92.2 m-20 -58.23 -33.92 69.86 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.13 0.49 . . . . 0.0 110.476 177.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -80.05 -45.34 18.5 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.264 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -79.08 -37.05 39.78 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -176.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.418 ' HE2' ' O ' ' A' ' 44' ' ' ASN . 75.7 mmtt 58.55 22.39 9.67 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 -174.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.9 t -67.86 125.42 26.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.333 -0.849 . . . . 0.0 112.3 -176.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.595 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -63.51 -40.74 97.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.424 176.523 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.587 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 61.9 mm-40 -66.24 -45.32 81.04 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.531 179.588 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 51.4 tp -62.95 -41.76 99.61 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -58.02 -43.5 86.75 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.154 177.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.438 ' O ' ' HD3' ' A' ' 57' ' ' ARG . 36.0 tt0 -61.93 -48.21 81.46 Favored 'General case' 0 N--CA 1.434 -1.259 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.332 -179.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.587 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 42.7 mmtm -64.96 -42.54 94.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.84 0.352 . . . . 0.0 110.309 -178.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 71.8 mt -60.11 -51.32 74.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.049 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 15.4 tt -68.45 -32.12 54.12 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 121.002 -0.279 . . . . 0.0 111.427 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.438 ' HD3' ' O ' ' A' ' 53' ' ' GLU . 1.5 mpt_? -66.55 -52.1 49.32 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.828 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -66.38 -35.19 79.7 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 120.839 -0.345 . . . . 0.0 110.483 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 23.9 tp -62.7 -44.42 96.29 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -59.52 -46.28 89.32 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.471 178.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.423 HG22 ' O ' ' A' ' 57' ' ' ARG . 64.4 t -62.11 -48.12 89.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.981 -179.689 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 87.3 t -64.65 -41.31 91.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.572 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 50.9 t -63.24 -41.59 99.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.917 0.389 . . . . 0.0 110.193 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.74 -50.67 68.19 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.845 -179.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 22.6 ptp -63.46 -37.06 85.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.946 0.403 . . . . 0.0 110.637 -178.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.4 mp -66.78 -45.13 88.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.33 179.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -67.27 -39.24 86.04 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.89 0.376 . . . . 0.0 111.062 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.54 -42.78 97.29 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.921 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.65 -39.0 70.65 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 179.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.14 -47.78 83.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.09 0.471 . . . . 0.0 110.256 -179.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.2 -42.17 91.35 Favored Glycine 0 C--O 1.244 0.72 0 CA-C-N 115.606 -0.725 . . . . 0.0 112.594 -178.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.36 -53.01 49.67 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-O 121.195 0.521 . . . . 0.0 110.192 -178.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.658 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 27.2 tp -56.69 -42.03 78.38 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.488 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.5 ' OE1' HD11 ' A' ' 77' ' ' LEU . 2.2 mm-40 -53.59 -53.07 57.04 Favored 'General case' 0 C--O 1.22 -0.451 0 O-C-N 123.414 0.446 . . . . 0.0 111.454 179.07 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.416 ' C ' ' HD3' ' A' ' 75' ' ' ARG . 4.4 tmt_? -57.83 -41.53 82.45 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 120.58 0.229 . . . . 0.0 110.742 -178.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -72.56 -54.8 8.15 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.633 -178.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.658 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 2.5 pp -59.04 -25.04 63.37 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -177.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.553 ' N ' HD13 ' A' ' 77' ' ' LEU . 59.9 mmtt -64.78 -24.88 67.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.489 0.661 . . . . 0.0 110.537 -178.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 26.8 ttp180 . . . . . 0 C--N 1.321 -0.664 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.271 -178.204 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 59.0 tp . . . . . 0 CA--C 1.513 -0.472 0 CA-C-O 120.502 0.191 . . . . 0.0 110.668 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -58.45 -46.23 86.96 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.563 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -57.96 -42.88 85.93 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 121.263 0.554 . . . . 0.0 110.617 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -67.67 -44.49 77.7 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.91 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -57.12 -52.9 63.43 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-O 121.187 0.517 . . . . 0.0 109.89 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.568 ' CE2' ' HB2' ' A' ' 77' ' ' LEU . 5.8 m-85 -55.25 -53.94 49.7 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.565 178.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -53.52 -50.96 64.35 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.67 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -65.79 -48.37 71.99 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -177.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.98 -43.29 86.43 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.87 0.367 . . . . 0.0 111.446 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -63.52 -36.63 84.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.175 178.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 59.5 m -60.61 -50.87 71.79 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.991 176.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 87.9 mt -67.43 -40.58 85.51 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.534 -176.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 6.0 p -60.33 -46.36 90.18 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.676 -178.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -60.37 -42.78 96.53 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.755 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 79.5 mt -61.83 -44.38 98.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-O 121.268 0.556 . . . . 0.0 110.298 178.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.516 ' O ' HD23 ' A' ' 104' ' ' LEU . 3.2 tm? -56.61 -51.22 69.52 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.985 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.63 -38.62 85.39 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 111.976 0.362 . . . . 0.0 111.976 -179.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -65.35 -33.73 76.66 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 121.084 -0.246 . . . . 0.0 111.035 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -71.48 -38.28 71.22 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.516 HD23 ' O ' ' A' ' 100' ' ' LEU . 4.4 mm? -63.31 -48.74 76.8 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.824 0.345 . . . . 0.0 110.337 178.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 57.0 mmtt -61.81 -35.33 77.88 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.677 ' O ' ' HG2' ' A' ' 110' ' ' LYS . 34.7 tt0 -66.02 -38.13 87.64 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 177.407 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 37.6 m -61.23 -48.85 79.59 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.27 178.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -51.38 -47.49 62.85 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.531 175.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.547 ' HA ' ' HE2' ' A' ' 112' ' ' LYS . 63.4 tt0 -59.39 -42.15 91.06 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.341 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.677 ' HG2' ' O ' ' A' ' 106' ' ' GLU . 13.8 mmmm -64.63 -49.17 72.11 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.212 0.529 . . . . 0.0 110.9 -178.596 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 35.1 m -65.23 -40.81 89.88 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.658 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.576 -176.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.547 ' HE2' ' HA ' ' A' ' 109' ' ' GLN . 50.4 pttt -75.35 -14.95 60.51 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.975 0.417 . . . . 0.0 111.11 178.256 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -78.65 -24.73 45.06 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.552 177.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.526 HD11 ' OD1' ' A' ' 44' ' ' ASN . 1.5 mp -68.29 120.38 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 176.288 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -72.03 124.8 25.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.162 0.506 . . . . 0.0 111.074 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 55.5 p -122.19 -163.74 1.1 Allowed 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.098 179.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.502 ' HB2' ' HD2' ' A' ' 49' ' ' LYS . 49.4 mt-30 . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.451 -0.785 . . . . 0.0 109.606 175.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 49.0 mt . . . . . 0 CA--C 1.537 0.458 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.442 HD11 ' CD1' ' A' ' 90' ' ' TYR . 33.0 mm -67.09 -35.93 75.7 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.633 0 C-N-CA 121.148 -0.221 . . . . 0.0 111.506 -177.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.2 mp0 -57.24 -44.32 83.74 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 120.836 0.35 . . . . 0.0 110.445 178.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -68.31 -40.1 81.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.037 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.419 ' HB3' ' CD2' ' A' ' 73' ' ' LEU . . . -67.95 -38.22 82.55 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 121.509 0.671 . . . . 0.0 110.435 178.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.471 ' HA ' HG12 ' A' ' 26' ' ' ILE . 16.5 t-20 -66.87 -38.61 86.65 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.444 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -62.72 -43.38 98.95 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.384 177.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.52 -50.2 73.68 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 115.925 -0.58 . . . . 0.0 112.02 178.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.471 HG12 ' HA ' ' A' ' 23' ' ' ASN . 39.1 pt -67.14 -31.37 52.91 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.393 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.213 -179.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -59.1 -55.19 38.22 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-O 121.392 0.615 . . . . 0.0 109.425 175.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -62.94 -39.8 95.7 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.704 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.5 -43.09 99.77 Favored Glycine 0 C--N 1.334 0.463 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.517 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -60.05 -47.76 84.54 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.303 0.573 . . . . 0.0 110.748 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -63.65 -48.19 78.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.172 -177.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -68.37 -33.04 73.56 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.407 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.552 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 1.4 tm? -64.19 -46.92 81.83 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 178.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.0 mt -63.52 -31.5 72.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.156 0.503 . . . . 0.0 109.681 179.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -68.79 -53.18 23.18 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.87 178.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.97 -32.36 72.8 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 116.354 -0.384 . . . . 0.0 112.032 -177.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.552 ' HG3' ' O ' ' A' ' 33' ' ' LEU . 84.3 mt-30 -63.18 -30.09 71.31 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.19 177.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -72.29 -32.82 66.94 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.345 176.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -67.2 -44.96 78.29 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 177.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.1 tp -52.91 -47.26 68.1 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.728 175.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -59.14 -41.38 88.12 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.518 0.675 . . . . 0.0 110.216 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -62.74 -44.75 95.41 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.141 178.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -63.54 -35.96 82.21 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 123.145 0.578 . . . . 0.0 111.455 -177.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -60.52 -38.31 83.97 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.127 0.489 . . . . 0.0 110.589 -177.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -89.86 -39.4 13.09 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.653 -179.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -71.64 -37.22 70.87 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -176.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? 53.35 101.64 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.937 0 CA-C-O 122.005 0.907 . . . . 0.0 111.944 -176.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.6 m -156.11 117.66 3.92 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 114.621 -1.172 . . . . 0.0 111.978 -177.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.597 ' H ' ' HD3' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -60.61 -42.23 96.38 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 121.006 0.432 . . . . 0.0 110.085 177.895 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.483 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 9.1 pt-20 -64.51 -38.98 92.89 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.132 178.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 47.2 tp -68.65 -39.52 80.64 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.54 ' HG3' HG23 ' A' ' 111' ' ' VAL . 50.4 tt0 -59.92 -44.54 94.25 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.378 177.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' A' ' 49' ' ' LYS . 46.2 mt-10 -59.9 -45.11 93.59 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.435 178.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.483 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 45.2 mmtm -60.4 -45.68 92.69 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.003 0.43 . . . . 0.0 110.712 179.317 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 69.6 mt -61.25 -53.52 47.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.453 -178.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.4 HG22 ' O ' ' A' ' 52' ' ' GLN . 12.5 tt -66.05 -35.2 74.47 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 120.981 -0.288 . . . . 0.0 111.471 -178.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -67.46 -47.53 69.84 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 111.558 0.207 . . . . 0.0 111.558 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.45 ' O ' HG11 ' A' ' 61' ' ' VAL . 28.5 tt0 -71.55 -34.35 69.92 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 120.125 -0.63 . . . . 0.0 111.071 179.006 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 23.5 tp -62.88 -46.43 87.9 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.314 0.578 . . . . 0.0 109.651 179.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -61.06 -48.21 82.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.806 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.45 HG11 ' O ' ' A' ' 58' ' ' GLU . 10.0 p -63.42 -35.89 74.11 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.662 0 CA-C-O 120.81 0.338 . . . . 0.0 110.908 -178.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 53.8 t -69.17 -40.64 80.75 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.172 0 CA-C-N 116.353 -0.385 . . . . 0.0 109.969 176.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 45.3 t -62.84 -39.42 94.29 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.851 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.48 -46.69 72.22 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.762 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.5 ptp -67.32 -35.13 78.8 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.587 -178.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.5 mp -67.75 -43.35 86.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.546 177.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -69.51 -38.02 77.41 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -179.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.51 -46.9 88.96 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.78 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.62 -38.41 86.88 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.676 0.274 . . . . 0.0 110.441 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.642 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 15.8 mt-30 -62.48 -44.86 95.37 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.755 179.043 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.04 -43.56 95.6 Favored Glycine 0 C--O 1.238 0.347 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.334 -178.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.25 -56.23 16.05 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 121.199 0.523 . . . . 0.0 110.64 -178.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.507 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 47.3 tp -61.39 -38.76 88.23 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.603 -178.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.642 ' HB2' ' O ' ' A' ' 70' ' ' GLN . 1.5 tm-20 -55.42 -52.3 64.04 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.849 0.357 . . . . 0.0 110.2 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -58.99 -38.7 79.76 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.994 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -69.96 -54.71 12.08 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.332 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 3.7 pp -60.85 -23.65 65.29 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -179.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.405 ' N ' HD11 ' A' ' 77' ' ' LEU . 23.9 mmtp -69.74 -19.58 63.54 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.198 0.523 . . . . 0.0 111.188 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 . . . . . 0 C--N 1.318 -0.783 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.116 -177.273 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 63.9 tp . . . . . 0 N--CA 1.45 -0.435 0 CA-C-O 120.723 0.296 . . . . 0.0 110.593 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -55.71 -47.41 76.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.138 -0.483 . . . . 0.0 112.134 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -61.83 -42.6 99.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.016 0.436 . . . . 0.0 110.75 -178.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -63.48 -45.62 89.9 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.704 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -59.97 -47.46 85.73 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.208 179.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.442 ' CD1' HD11 ' A' ' 19' ' ' ILE . 5.3 m-30 -55.7 -50.08 71.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.473 177.284 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -57.51 -49.66 75.59 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.711 -179.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -67.03 -40.02 87.13 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.355 -177.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.49 -43.82 96.18 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 121.125 0.488 . . . . 0.0 109.795 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.445 ' O ' ' HG3' ' A' ' 98' ' ' LYS . 9.2 mm-40 -64.56 -34.52 78.44 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.969 177.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.521 ' O ' HG13 ' A' ' 99' ' ' ILE . 88.5 m -63.2 -49.14 75.39 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.48 176.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 89.2 mt -69.43 -38.63 77.93 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.35 -176.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.429 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 7.9 p -61.61 -43.88 98.04 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 120.681 0.277 . . . . 0.0 111.125 -179.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 94' ' ' GLN . 61.2 mttp -61.29 -34.52 75.33 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.412 177.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.521 HG13 ' O ' ' A' ' 95' ' ' THR . 84.9 mt -66.81 -48.36 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-O 121.164 0.507 . . . . 0.0 110.048 178.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.46 ' O ' HD22 ' A' ' 104' ' ' LEU . 90.5 mt -58.79 -49.24 78.41 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.951 -179.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 97' ' ' SER . 94.5 mt -56.0 -41.08 74.31 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.871 179.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -68.15 -33.48 74.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.356 178.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -75.59 -37.73 59.63 Favored 'General case' 0 C--O 1.24 0.605 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.22 -179.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.46 HD22 ' O ' ' A' ' 100' ' ' LEU . 4.6 mm? -62.03 -50.44 72.01 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.128 0.49 . . . . 0.0 109.686 175.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -58.23 -33.22 69.1 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.479 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.656 ' O ' ' HG2' ' A' ' 110' ' ' LYS . 9.1 mm-40 -67.16 -39.46 86.5 Favored 'General case' 0 CA--C 1.51 -0.586 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 176.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 38.2 m -63.4 -45.82 89.26 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.62 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.519 ' HG2' ' HD3' ' A' ' 112' ' ' LYS . 19.8 tt0 -51.11 -49.23 61.15 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.023 176.489 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -60.28 -38.53 83.86 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.16 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.656 ' HG2' ' O ' ' A' ' 106' ' ' GLU . 70.7 mmtt -65.32 -49.06 70.88 Favored 'General case' 0 C--O 1.242 0.703 0 CA-C-O 121.361 0.601 . . . . 0.0 111.607 -177.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.54 HG23 ' HG3' ' A' ' 52' ' ' GLN . 12.1 p -65.55 -38.94 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.483 -178.221 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.519 ' HD3' ' HG2' ' A' ' 108' ' ' GLU . 47.7 mtpt -71.02 -15.63 62.57 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 175.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -83.82 -22.08 31.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.147 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.3 mp -74.83 122.96 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-O 121.419 0.628 . . . . 0.0 110.168 176.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -81.76 124.22 29.44 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.763 176.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.4 p -126.19 175.55 7.7 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.608 -178.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 . . . . . 0 C--O 1.253 1.24 0 O-C-N 123.921 0.763 . . . . 0.0 110.833 -179.614 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.2 mp . . . . . 0 N--CA 1.476 0.871 0 CA-C-O 120.703 0.287 . . . . 0.0 111.717 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.473 HD13 ' CD1' ' A' ' 90' ' ' TYR . 21.8 mm -60.77 -34.01 57.41 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.25 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.13 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -62.27 -49.13 76.92 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.766 -179.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -62.3 -46.08 90.35 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.443 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.45 -41.82 85.99 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 121.021 0.439 . . . . 0.0 110.982 176.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.455 ' HA ' HG12 ' A' ' 26' ' ' ILE . 28.0 t-20 -63.51 -41.59 98.52 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 179.167 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -61.38 -42.67 99.09 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.566 177.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.14 -45.92 86.4 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.752 -0.204 . . . . 0.0 111.533 178.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.455 HG12 ' HA ' ' A' ' 23' ' ' ASN . 33.3 pt -67.62 -33.8 64.19 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.16 0 C-N-CA 120.543 -0.463 . . . . 0.0 111.316 -179.309 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -60.52 -42.41 96.39 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 174.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -67.11 -46.25 74.75 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.143 177.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.429 ' O ' ' HG3' ' A' ' 32' ' ' GLN . . . -60.11 -43.65 98.1 Favored Glycine 0 C--O 1.221 -0.668 0 N-CA-C 111.885 -0.486 . . . . 0.0 111.885 -178.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.492 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 41.8 tt0 -59.06 -45.01 91.88 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.227 0.537 . . . . 0.0 110.387 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -67.05 -43.76 81.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.355 -178.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -69.94 -31.57 69.4 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.894 -0.323 . . . . 0.0 110.32 -179.886 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.475 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 1.8 tm? -65.85 -47.25 75.56 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 177.056 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 30' ' ' GLU . 96.3 mt -63.64 -33.85 76.53 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -68.34 -51.2 47.1 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.662 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.85 -34.33 75.78 Favored 'General case' 0 C--N 1.338 0.084 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.833 -178.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' A' ' 33' ' ' LEU . 89.3 mt-30 -65.58 -26.98 68.1 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.265 0.555 . . . . 0.0 110.534 178.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -72.2 -32.93 67.23 Favored 'General case' 0 C--O 1.245 0.826 0 CA-C-O 121.376 0.608 . . . . 0.0 109.598 175.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -68.6 -40.95 80.23 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 177.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.0 tp -52.15 -45.09 64.9 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.243 173.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -56.84 -42.56 79.89 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.983 0.42 . . . . 0.0 110.455 178.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -66.14 -46.64 76.8 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.333 177.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.5 tp -56.07 -41.22 74.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.369 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -60.45 -32.63 71.56 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.106 0.479 . . . . 0.0 111.097 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -84.45 -45.11 13.01 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.691 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.483 ' HB3' ' OG ' ' A' ' 48' ' ' SER . 94.7 m-20 -77.99 -33.18 51.43 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.298 -0.41 . . . . 0.0 112.091 -177.111 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.425 ' HZ1' HG13 ' A' ' 114' ' ' ILE . 74.3 mmtt 57.04 20.41 5.43 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.29 -175.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.483 ' OG ' ' HB3' ' A' ' 46' ' ' ASN . 13.6 m -65.68 118.79 10.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.391 -177.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.487 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 0.1 OUTLIER -62.21 -43.46 98.79 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.838 -179.246 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.474 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 10.5 pt-20 -61.84 -43.67 98.38 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 121.202 -0.199 . . . . 0.0 110.772 179.089 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.6 tp -59.51 -41.9 90.97 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 176.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -58.22 -44.58 88.26 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.262 177.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.487 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 7.4 mm-40 -59.05 -50.35 74.4 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.948 179.368 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 10.5 mmpt? -60.36 -47.33 86.53 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.416 -179.487 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 68.0 mt -60.04 -51.79 68.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.01 -177.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.479 ' O ' HD12 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -69.83 -35.86 67.0 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 C-N-CA 121.068 -0.253 . . . . 0.0 111.462 -177.517 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.428 ' O ' HG22 ' A' ' 61' ' ' VAL . 6.2 mpt_? -65.99 -52.49 48.96 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -179.391 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.475 ' O ' HG22 ' A' ' 62' ' ' VAL . 31.1 tt0 -66.42 -33.17 75.11 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.32 -179.415 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 23.1 tp -62.52 -43.63 98.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.01 0.433 . . . . 0.0 110.02 178.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.578 ' HA ' ' SG ' ' A' ' 63' ' ' CYS . 32.0 t70 -62.24 -39.32 92.47 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.162 178.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.428 HG22 ' O ' ' A' ' 57' ' ' ARG . 67.2 t -64.04 -46.42 93.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.083 178.699 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.475 HG22 ' O ' ' A' ' 58' ' ' GLU . 59.7 t -64.35 -41.84 93.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.577 -178.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.578 ' SG ' ' HA ' ' A' ' 60' ' ' ASP . 11.8 p -70.78 -30.47 66.95 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 119.932 -0.707 . . . . 0.0 110.613 -178.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.57 -47.83 62.31 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.386 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 22.4 ptp -63.07 -35.78 81.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.944 0.402 . . . . 0.0 110.215 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.5 mp -66.52 -39.27 83.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.641 177.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -66.16 -35.81 81.46 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.138 0.494 . . . . 0.0 110.319 179.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.74 -48.32 62.34 Favored Glycine 0 N--CA 1.443 -0.855 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.977 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.456 ' O ' ' HG ' ' A' ' 73' ' ' LEU . . . -67.06 -39.36 86.88 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.738 -0.231 . . . . 0.0 110.391 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.49 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 0.3 OUTLIER -57.96 -41.67 83.37 Favored 'General case' 0 C--O 1.215 -0.738 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 179.376 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.52 -42.5 93.58 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.55 -0.75 . . . . 0.0 112.505 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.71 -59.75 3.3 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 120.804 0.335 . . . . 0.0 111.402 -177.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 69' ' ' ALA . 4.5 pp -59.66 -34.55 72.98 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.703 -178.073 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.49 ' HB2' ' O ' ' A' ' 70' ' ' GLN . 0.2 OUTLIER -60.37 -53.05 62.23 Favored 'General case' 0 C--O 1.22 -0.451 0 O-C-N 123.312 0.382 . . . . 0.0 110.279 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -58.76 -36.36 74.25 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.169 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -68.98 -55.24 11.49 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.095 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.655 ' HB2' ' CE2' ' A' ' 90' ' ' TYR . 4.4 pp -61.0 -21.64 63.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.128 0.49 . . . . 0.0 112.014 -179.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 64.9 mmtt -74.81 -9.81 58.9 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.322 -179.184 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 . . . . . 0 N--CA 1.465 0.305 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.77 -176.009 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.7 tm? . . . . . 0 C--O 1.233 0.197 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -57.0 -44.56 82.87 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.911 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 87' ' ' ARG . 48.8 mtm105 -61.49 -40.97 96.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.114 0.483 . . . . 0.0 111.115 -179.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -62.88 -44.18 96.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.38 178.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -65.97 -47.34 74.88 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.032 178.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.655 ' CE2' ' HB2' ' A' ' 77' ' ' LEU . 4.0 m-30 -54.75 -54.34 43.32 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.061 0.458 . . . . 0.0 110.839 177.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -58.1 -46.85 84.84 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.529 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -63.77 -47.75 79.71 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 121.096 -0.242 . . . . 0.0 111.45 -178.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.06 -46.4 82.49 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 120.603 0.24 . . . . 0.0 110.963 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.449 ' O ' ' HG3' ' A' ' 98' ' ' LYS . 28.5 mm-40 -64.68 -36.08 83.1 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.899 178.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.522 ' O ' HD11 ' A' ' 99' ' ' ILE . 86.0 m -59.03 -44.92 91.81 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.065 0.46 . . . . 0.0 109.76 177.067 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 79.3 mt -70.74 -37.29 73.46 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.897 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.461 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 50.1 m -59.5 -51.44 69.85 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.282 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 94' ' ' GLN . 52.8 mtmt -60.88 -42.79 98.62 Favored 'General case' 0 C--N 1.34 0.173 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.92 -178.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.522 HD11 ' O ' ' A' ' 95' ' ' THR . 1.6 mp -61.36 -43.14 96.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.746 179.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 79.1 mt -65.15 -45.67 84.04 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.967 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.501 ' O ' ' HG2' ' A' ' 105' ' ' LYS . 86.5 mt -58.01 -40.6 81.2 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.364 179.049 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -60.57 -48.11 83.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.172 177.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.15 -30.7 71.24 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.935 -0.306 . . . . 0.0 111.266 -177.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.46 -51.24 68.27 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.103 0.478 . . . . 0.0 110.018 175.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.501 ' HG2' ' O ' ' A' ' 101' ' ' LEU . 1.1 mmmp? -61.62 -30.48 70.72 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.902 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -68.13 -41.09 82.19 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.608 0.718 . . . . 0.0 109.235 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 48.9 m -62.9 -52.81 61.62 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.963 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.496 ' HG3' ' N ' ' A' ' 109' ' ' GLN . 5.0 pt-20 -54.11 -39.71 66.66 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 121.176 -0.21 . . . . 0.0 111.377 178.297 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.522 ' HA ' ' CD ' ' A' ' 112' ' ' LYS . 78.3 mt-30 -57.56 -40.38 78.81 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.932 178.308 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -68.9 -42.05 77.43 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.155 0.502 . . . . 0.0 110.919 178.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 82.5 t -59.22 -50.01 81.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.199 178.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.522 ' CD ' ' HA ' ' A' ' 109' ' ' GLN . 10.3 ptmt -72.31 -14.85 61.85 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.827 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -76.93 -28.73 55.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.346 177.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.425 HG13 ' HZ1' ' A' ' 47' ' ' LYS . 1.5 mp -72.23 119.85 19.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.866 0.841 . . . . 0.0 110.735 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.496 ' O ' ' HG2' ' A' ' 115' ' ' GLN . 15.4 pm0 -75.08 119.91 19.88 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 114.547 -1.206 . . . . 0.0 109.117 176.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.41 HG23 HG21 ' A' ' 114' ' ' ILE . 57.7 p -112.07 176.19 5.12 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 120.547 -0.461 . . . . 0.0 112.005 -179.266 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 10.3 tm0? . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.627 -0.702 . . . . 0.0 110.18 -177.546 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.9 mp . . . . . 0 C--O 1.236 0.388 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.444 HD12 ' CD1' ' A' ' 90' ' ' TYR . 22.0 mm -63.15 -31.34 52.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.534 -178.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -56.55 -47.5 79.32 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.489 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -69.25 -41.0 77.51 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.507 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.98 -47.39 74.67 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.174 176.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -61.44 -37.16 82.51 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.614 178.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 41.2 t-80 -71.69 -39.07 70.46 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.458 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.27 -45.51 84.22 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.6 pt -64.12 -33.81 64.77 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.145 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.456 179.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -62.11 -45.6 92.76 Favored 'General case' 0 C--O 1.244 0.798 0 CA-C-O 121.317 0.58 . . . . 0.0 109.528 175.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -65.61 -47.47 75.53 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.258 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.48 -43.73 98.47 Favored Glycine 0 C--O 1.222 -0.61 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.349 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.492 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 33.9 tt0 -57.54 -48.14 80.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.644 -0.278 . . . . 0.0 110.789 -179.46 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -67.42 -40.55 85.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.853 -177.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.47 -33.29 69.19 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 120.629 -0.429 . . . . 0.0 110.645 -179.264 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.476 HD21 HD21 ' A' ' 104' ' ' LEU . 1.9 tm? -67.04 -45.6 76.95 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 177.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 30' ' ' GLU . 97.3 mt -64.85 -34.64 78.86 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.937 179.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -68.62 -50.57 50.4 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.813 178.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.404 HD11 ' O ' ' A' ' 36' ' ' LEU . 1.7 tm? -62.33 -35.77 80.1 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.255 -178.282 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -61.95 -33.43 74.27 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -68.47 -42.91 78.04 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.867 176.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -59.03 -42.1 89.39 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.586 176.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 35.2 tp -52.05 -45.1 64.56 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.655 174.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -60.01 -39.19 84.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.273 0.558 . . . . 0.0 110.309 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -64.25 -41.25 97.05 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.197 179.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 34.6 tp -66.61 -32.07 73.17 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 120.745 0.307 . . . . 0.0 110.994 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.508 ' O ' ' HE3' ' A' ' 47' ' ' LYS . 12.3 m-80 -60.86 -37.09 80.92 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-O 121.083 0.468 . . . . 0.0 110.782 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -90.26 -40.36 12.2 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.958 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -77.94 -34.67 51.04 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -177.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.508 ' HE3' ' O ' ' A' ' 44' ' ' ASN . 31.9 mmtp 55.56 15.21 1.42 Allowed 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -178.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.0 t -64.23 122.46 16.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.566 0.222 . . . . 0.0 111.478 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.608 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -62.48 -40.67 97.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.22 178.946 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -60.6 -45.69 93.05 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 177.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.416 ' O ' HG13 ' A' ' 55' ' ' ILE . 50.9 tp -61.15 -40.27 93.21 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 177.593 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.604 ' OE1' HG21 ' A' ' 111' ' ' VAL . 4.6 tp60 -54.47 -52.7 61.05 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.126 176.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.467 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 20.3 mt-10 -58.58 -45.52 88.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.952 -178.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -63.54 -44.51 93.98 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.809 0.338 . . . . 0.0 111.542 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 51' ' ' LEU . 71.6 mt -63.18 -51.37 72.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.733 -178.551 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 16.3 tt -67.78 -35.45 72.54 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.587 -178.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.467 ' HB2' ' O ' ' A' ' 53' ' ' GLU . 3.9 mpt_? -66.09 -47.93 72.61 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.432 0.158 . . . . 0.0 111.271 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.49 -34.48 75.98 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.694 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 51.2 tp -63.46 -45.35 91.23 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.232 0.539 . . . . 0.0 109.912 178.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -61.81 -49.14 77.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.496 -0.775 . . . . 0.0 112.247 -178.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.5 p -62.27 -37.49 78.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 CA-C-O 120.782 0.325 . . . . 0.0 111.479 -178.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.9 t -72.11 -37.01 58.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.913 0.387 . . . . 0.0 110.005 178.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 46.8 t -64.83 -39.13 93.08 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.02 -48.1 69.4 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.75 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 21.1 ptp -63.04 -37.59 87.81 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.384 -179.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.4 mp -65.04 -42.39 94.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.743 178.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -66.07 -39.73 90.3 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-O 120.906 0.384 . . . . 0.0 110.995 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.91 -46.56 89.02 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.187 -179.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.36 -39.78 85.72 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -62.94 -46.21 88.83 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.866 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.05 -42.09 96.86 Favored Glycine 0 C--O 1.241 0.579 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.141 -177.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.02 -55.17 18.03 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.191 -0.504 . . . . 0.0 110.66 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.435 ' HG ' HD23 ' A' ' 77' ' ' LEU . 34.3 tp -58.27 -41.94 85.44 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.988 -179.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.406 ' OE1' HD12 ' A' ' 77' ' ' LEU . 1.4 mm-40 -54.14 -52.23 61.76 Favored 'General case' 0 C--O 1.223 -0.328 0 O-C-N 123.422 0.451 . . . . 0.0 111.06 178.328 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -58.58 -41.1 84.97 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.618 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -69.41 -55.34 10.6 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.641 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.435 HD23 ' HG ' ' A' ' 73' ' ' LEU . 4.2 pp -59.58 -24.24 63.6 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 120.67 0.272 . . . . 0.0 111.662 -179.106 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.413 ' N ' HD11 ' A' ' 77' ' ' LEU . 14.7 mmtp -70.56 -15.51 62.78 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-O 121.16 0.505 . . . . 0.0 111.083 -177.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.656 178.397 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.1 tm? . . . . . 0 N--CA 1.455 -0.192 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -56.77 -47.42 80.17 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.956 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.488 ' C ' ' HD3' ' A' ' 87' ' ' ARG . 0.9 OUTLIER -61.05 -43.57 98.69 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.091 0.472 . . . . 0.0 110.349 -178.194 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -64.41 -43.5 94.2 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.751 179.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -60.5 -49.38 77.79 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.953 -179.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.444 ' CD1' HD12 ' A' ' 19' ' ' ILE . 6.8 m-30 -54.91 -47.79 73.89 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.923 178.225 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -58.56 -41.19 85.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.795 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -68.41 -51.2 46.53 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.981 -177.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.49 -39.54 84.11 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.027 0.441 . . . . 0.0 110.608 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.718 ' O ' ' HG2' ' A' ' 98' ' ' LYS . 36.2 tt0 -62.25 -40.85 97.56 Favored 'General case' 0 C--O 1.217 -0.625 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.555 177.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.537 ' O ' HG13 ' A' ' 99' ' ' ILE . 98.1 m -60.79 -45.45 94.36 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.222 179.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 89.7 mt -70.33 -41.1 73.68 Favored 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.076 -177.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 10.5 p -61.07 -39.75 91.07 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 121.108 0.48 . . . . 0.0 111.057 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.718 ' HG2' ' O ' ' A' ' 94' ' ' GLN . 74.2 mmtt -63.33 -35.96 82.1 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.5 178.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.537 HG13 ' O ' ' A' ' 95' ' ' THR . 80.8 mt -63.29 -43.53 98.7 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-O 121.099 0.476 . . . . 0.0 110.003 177.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.501 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 94.0 mt -63.64 -45.39 90.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.966 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.16 -45.04 92.04 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.964 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm -62.76 -43.73 98.03 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.155 178.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -67.23 -33.36 75.19 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.628 -179.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 100' ' ' LEU . 97.4 mt -61.04 -50.69 72.29 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 120.957 0.408 . . . . 0.0 109.974 176.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -63.48 -30.42 71.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.8 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -70.69 -39.81 73.28 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 177.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 57.0 m -68.11 -48.46 65.39 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.007 178.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.421 ' O ' HG13 ' A' ' 111' ' ' VAL . 27.9 tt0 -51.17 -48.02 62.0 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.197 0.522 . . . . 0.0 110.483 175.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -58.11 -41.91 84.61 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.252 178.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.64 -49.42 59.34 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-O 121.661 0.743 . . . . 0.0 111.115 -178.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.604 HG21 ' OE1' ' A' ' 52' ' ' GLN . 9.6 p -61.39 -43.41 96.64 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.643 -177.248 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.417 ' HA ' HE22 ' A' ' 52' ' ' GLN . 15.0 pttp -71.39 -18.6 62.35 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-O 120.761 0.315 . . . . 0.0 110.645 177.496 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -73.88 -22.62 59.66 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.06 178.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.459 HG22 HG21 ' A' ' 116' ' ' THR . 1.6 mp -73.12 121.87 24.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-O 121.371 0.605 . . . . 0.0 109.705 178.244 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -76.71 119.79 21.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.197 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.459 HG21 HG22 ' A' ' 114' ' ' ILE . 38.4 p -124.77 153.73 41.99 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.522 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.526 ' HB2' ' HD2' ' A' ' 49' ' ' LYS . 38.9 mt-30 . . . . . 0 C--O 1.241 0.623 0 CA-C-O 118.492 -0.766 . . . . 0.0 110.893 176.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.3 mt . . . . . 0 C--O 1.239 0.529 0 CA-C-O 120.975 0.416 . . . . 0.0 111.41 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.464 HD12 ' CD1' ' A' ' 90' ' ' TYR . 39.7 mm -63.04 -25.21 38.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.705 -179.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.576 ' HA ' ' ND2' ' A' ' 23' ' ' ASN . 5.3 tp10 -62.23 -46.39 89.07 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.311 0.577 . . . . 0.0 110.427 178.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -72.02 -25.95 62.02 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.519 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.61 -47.94 24.39 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.983 -178.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.576 ' ND2' ' HA ' ' A' ' 20' ' ' GLU . 6.9 p30 -66.68 -30.52 70.79 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.492 -178.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -71.0 -41.78 70.48 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.564 178.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.98 -47.59 79.8 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.426 HG12 ' HA ' ' A' ' 23' ' ' ASN . 33.9 pt -64.97 -31.99 56.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.177 -179.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -62.37 -46.25 89.5 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-O 121.202 0.525 . . . . 0.0 109.597 176.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -63.85 -39.63 94.67 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.007 177.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.95 -43.72 97.84 Favored Glycine 0 C--N 1.339 0.734 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.996 178.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -56.1 -46.01 79.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.445 0.641 . . . . 0.0 110.119 178.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 53.9 m170 -67.33 -47.36 70.73 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.826 -177.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.63 -26.43 63.48 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.457 -178.093 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.438 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 1.6 tm? -70.7 -50.19 39.04 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 178.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 pp -66.51 -25.52 66.73 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.464 0.65 . . . . 0.0 110.011 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 92.8 t80 -68.96 -56.98 6.15 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 114.959 -1.018 . . . . 0.0 110.351 178.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.8 mt -63.07 -30.93 71.98 Favored 'General case' 0 CA--C 1.522 -0.098 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.971 -178.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.438 ' HG3' ' O ' ' A' ' 33' ' ' LEU . 95.1 mt-30 -57.42 -38.26 74.08 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.084 0.469 . . . . 0.0 109.822 177.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 65.4 t-80 -64.96 -37.54 87.97 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.552 177.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -72.96 -40.54 65.26 Favored 'General case' 0 N--CA 1.441 -0.881 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.685 -178.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.0 tp -53.1 -43.48 66.87 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.462 173.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.572 ' HA ' ' ND2' ' A' ' 44' ' ' ASN . 19.6 t70 -58.06 -42.8 86.23 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.311 0.577 . . . . 0.0 110.53 177.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -67.3 -47.46 70.52 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.8 178.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 52' ' ' GLN . 7.7 tt -55.5 -50.65 69.38 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.997 0.919 . . . . 0.0 112.213 -179.207 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.572 ' ND2' ' HA ' ' A' ' 41' ' ' ASP . 11.8 p30 -62.83 -29.54 70.81 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-O 121.236 0.541 . . . . 0.0 111.752 -176.619 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -84.91 -42.11 15.31 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.86 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -75.94 -29.53 58.35 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 115.901 -0.59 . . . . 0.0 112.181 -177.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.469 ' HE3' ' O ' ' A' ' 44' ' ' ASN . 33.5 mmtp 55.32 15.62 1.43 Allowed 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 114.433 1.271 . . . . 0.0 114.433 179.035 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 66.2 m -69.03 123.52 21.25 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.583 ' O ' ' HB3' ' A' ' 52' ' ' GLN . 16.8 pttp -61.37 -46.21 91.16 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.5 0.72 . . . . 0.0 112.123 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 3.7 mt-10 -63.46 -42.12 98.63 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 120.483 0.182 . . . . 0.0 111.102 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 44.4 tp -60.84 -40.86 94.45 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 176.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.583 ' HB3' ' O ' ' A' ' 49' ' ' LYS . 6.8 tp60 -54.25 -50.7 66.6 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.614 177.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -59.43 -44.21 92.95 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.04 -178.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 43.6 mmtm -68.84 -44.54 73.19 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -178.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.5 mp -57.67 -49.61 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 CA-C-O 120.636 0.255 . . . . 0.0 111.137 -179.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 16.8 tt -66.95 -30.71 50.5 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.528 0 CA-C-O 121.013 0.435 . . . . 0.0 110.662 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.464 ' HD2' ' HA ' ' A' ' 57' ' ' ARG . 18.2 tpt85 -66.94 -52.65 40.38 Favored 'General case' 0 N--CA 1.426 -1.668 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.623 -178.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.401 ' O ' HG23 ' A' ' 62' ' ' VAL . 35.4 mt-10 -67.41 -32.08 72.72 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.421 -0.512 . . . . 0.0 111.105 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 46.2 tp -63.45 -44.6 94.03 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 121.027 0.441 . . . . 0.0 109.996 178.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.499 ' HA ' ' SG ' ' A' ' 63' ' ' CYS . 28.3 t70 -59.79 -43.46 94.41 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.278 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 66.4 t -62.59 -48.08 89.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.926 0.394 . . . . 0.0 111.477 178.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 58' ' ' GLU . 93.7 t -65.41 -42.5 93.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.918 -178.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.499 ' SG ' ' HA ' ' A' ' 60' ' ' ASP . 24.6 p -66.16 -32.41 73.83 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 119.985 -0.686 . . . . 0.0 110.554 -178.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.0 -51.75 55.52 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.371 177.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 22.9 ptp -63.12 -37.92 89.12 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.916 -178.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.464 ' O ' ' HB2' ' A' ' 70' ' ' GLN . 1.4 mp -65.25 -46.09 91.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.355 179.351 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -69.37 -35.76 76.15 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -178.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.61 -48.23 69.82 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.275 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.01 -37.91 78.96 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.474 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 5.7 tt0 -60.18 -44.59 94.94 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-O 121.366 0.603 . . . . 0.0 109.727 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -68.94 -42.64 77.27 Favored Glycine 0 C--O 1.241 0.569 0 CA-C-N 115.052 -0.976 . . . . 0.0 112.86 -178.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.58 -54.35 29.08 Favored 'General case' 0 C--O 1.244 0.788 0 CA-C-O 121.112 0.482 . . . . 0.0 110.82 -177.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.481 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 35.0 tp -60.1 -40.22 88.9 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.298 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.557 ' OE2' HD13 ' A' ' 77' ' ' LEU . 1.6 mm-40 -54.48 -52.38 62.08 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.979 0.419 . . . . 0.0 110.939 179.245 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -57.4 -41.71 80.82 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.743 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -70.33 -56.18 7.35 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.761 -178.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.557 HD13 ' OE2' ' A' ' 74' ' ' GLU . 3.9 pp -60.09 -22.92 63.36 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -178.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.481 ' N ' HD12 ' A' ' 77' ' ' LEU . 30.5 mmtm -69.24 -11.38 60.75 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -178.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 73.2 ttt-85 . . . . . 0 N--CA 1.46 0.068 0 CA-C-O 120.766 0.317 . . . . 0.0 111.115 -178.072 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.0 tm? . . . . . 0 CA--C 1.519 -0.232 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -60.46 -40.65 91.94 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.587 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 33.6 mtp180 -57.67 -51.89 67.66 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-O 121.516 0.675 . . . . 0.0 110.245 177.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -60.14 -43.07 95.99 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 114.615 -1.175 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.73 -50.05 68.43 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.234 -178.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.464 ' CD1' HD12 ' A' ' 19' ' ' ILE . 10.2 m-30 -55.58 -49.64 72.2 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.856 177.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.56 -49.46 72.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.331 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -68.14 -40.56 82.41 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -177.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.83 -46.69 86.77 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 120.746 0.308 . . . . 0.0 110.549 -178.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.406 ' HA ' ' OG ' ' A' ' 97' ' ' SER . 6.0 tp-100 -65.62 -32.29 73.78 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.183 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.459 ' O ' HG13 ' A' ' 99' ' ' ILE . 86.7 m -61.39 -47.39 86.01 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.655 176.066 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 88.2 mt -68.45 -38.31 81.01 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.751 -0.204 . . . . 0.0 111.528 -178.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.461 ' HB2' ' OE1' ' A' ' 70' ' ' GLN . 11.5 p -61.5 -43.33 99.07 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 120.962 0.411 . . . . 0.0 111.168 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -61.66 -37.39 83.87 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.704 177.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 95' ' ' THR . 89.4 mt -63.83 -47.71 89.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 CA-C-O 121.091 0.472 . . . . 0.0 110.064 178.125 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 97.3 mt -61.3 -46.01 92.08 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.684 -179.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.42 ' O ' ' HD2' ' A' ' 105' ' ' LYS . 4.0 mm? -62.22 -41.16 98.13 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.835 179.293 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -56.39 -52.16 65.66 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 176.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.56 -37.01 82.27 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -179.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 97.3 mt -64.96 -50.72 65.27 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 118.202 0.455 . . . . 0.0 109.999 176.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.645 ' O ' ' HG3' ' A' ' 109' ' ' GLN . 1.0 OUTLIER -58.7 -34.38 71.23 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.086 178.178 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.539 ' O ' ' HD3' ' A' ' 110' ' ' LYS . 42.9 tt0 -66.58 -39.39 88.43 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.922 0.392 . . . . 0.0 110.098 177.197 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.47 ' O ' HG22 ' A' ' 111' ' ' VAL . 63.5 m -61.11 -53.92 51.06 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.534 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -55.37 -37.96 68.21 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 111.565 0.209 . . . . 0.0 111.565 178.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.645 ' HG3' ' O ' ' A' ' 105' ' ' LYS . 97.9 mt-30 -56.63 -47.82 78.85 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 120.872 0.368 . . . . 0.0 110.332 176.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.539 ' HD3' ' O ' ' A' ' 106' ' ' GLU . 12.7 mptt -68.01 -41.05 82.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.27 -178.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.47 HG22 ' O ' ' A' ' 107' ' ' THR . 80.9 t -57.47 -53.24 46.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.048 177.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -65.74 -20.37 66.25 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.321 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -71.99 -30.57 65.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.966 179.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.477 HG12 ' HA ' ' A' ' 44' ' ' ASN . 1.7 mp -72.82 119.26 19.31 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 CA-C-O 121.486 0.66 . . . . 0.0 110.642 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -74.89 123.82 25.77 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.627 176.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.444 HG21 HG23 ' A' ' 114' ' ' ILE . 34.0 p -126.01 157.15 38.61 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 178.427 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.475 ' HB2' ' HD3' ' A' ' 49' ' ' LYS . 14.8 mm100 . . . . . 0 C--N 1.323 -0.566 0 CA-C-O 118.666 -0.683 . . . . 0.0 111.395 177.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.5 mt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.876 0.37 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.6 mm -68.12 -43.63 84.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.216 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.02 -42.7 76.87 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-O 120.941 0.4 . . . . 0.0 110.989 177.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -63.65 -50.96 67.25 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.418 178.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.74 -38.86 82.89 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.433 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -59.72 -36.34 76.36 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.586 179.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -70.0 -43.6 71.06 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.326 178.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.67 -44.17 87.11 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -178.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 36.8 pt -66.07 -37.13 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.114 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.995 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -62.91 -41.04 99.32 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 176.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -68.64 -47.22 67.15 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.514 ' O ' ' HG3' ' A' ' 32' ' ' GLN . . . -60.74 -42.9 99.6 Favored Glycine 0 C--O 1.224 -0.489 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.541 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.548 ' O ' HD22 ' A' ' 34' ' ' LEU . 28.7 tt0 -60.79 -44.39 96.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.224 0.535 . . . . 0.0 110.263 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -62.31 -44.19 97.08 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.003 -178.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.514 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -70.47 -23.62 62.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.814 179.812 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.488 HD11 ' OD1' ' A' ' 103' ' ' ASP . 2.5 tm? -68.79 -46.39 68.83 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 177.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.548 HD22 ' O ' ' A' ' 30' ' ' GLU . 4.1 mm? -64.93 -28.48 69.56 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.565 0.698 . . . . 0.0 109.469 177.211 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -69.51 -58.74 3.59 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.747 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.7 mt -63.79 -33.45 75.7 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.873 -178.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -58.42 -36.0 72.94 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 120.882 0.372 . . . . 0.0 110.069 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -68.78 -40.76 79.5 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.353 176.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -58.96 -41.82 88.41 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.742 176.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.1 tp -52.02 -47.61 64.91 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.876 173.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -57.32 -39.45 75.85 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.087 0.47 . . . . 0.0 110.699 178.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -67.31 -44.31 79.51 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.492 -0.777 . . . . 0.0 109.89 177.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 46.5 tp -54.69 -38.03 66.5 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.091 -0.959 . . . . 0.0 111.189 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -57.59 -36.01 71.17 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.232 0.539 . . . . 0.0 111.055 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -82.15 -46.65 13.51 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.157 -178.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -78.22 -36.71 46.82 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -175.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp 62.04 21.94 12.73 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 -174.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.7 t -64.29 116.83 6.42 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.294 -177.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.642 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -60.68 -37.59 82.11 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.415 176.357 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.445 ' CD ' ' HE2' ' A' ' 49' ' ' LYS . 5.2 mp0 -64.82 -45.29 86.81 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.722 178.484 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 49.4 tp -63.06 -40.02 96.46 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 177.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.13 -48.64 79.62 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.974 176.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -56.2 -49.68 73.38 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 123.777 0.831 . . . . 0.0 111.349 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -62.41 -46.31 89.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.219 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.424 HG21 HG13 ' A' ' 111' ' ' VAL . 81.4 mt -61.75 -50.21 81.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.724 -178.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 22.7 mm -58.4 -46.16 89.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-O 120.825 0.345 . . . . 0.0 110.866 178.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -67.42 -51.33 53.09 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -176.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.428 ' O ' HG22 ' A' ' 62' ' ' VAL . 44.3 mt-10 -70.01 -34.74 73.68 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 120.222 -0.591 . . . . 0.0 111.934 -178.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 23.5 tp -64.62 -46.31 83.13 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 178.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -60.94 -45.44 94.71 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.869 -179.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 31.2 m -64.52 -37.84 81.08 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.178 -178.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.49 HG13 ' NE2' ' A' ' 32' ' ' GLN . 91.2 t -70.27 -39.06 76.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 177.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.461 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 94.3 m -61.12 -41.96 97.66 Favored 'General case' 0 C--O 1.219 -0.511 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.036 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.62 -49.69 67.78 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.621 -178.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 22.5 ptp -66.63 -34.69 78.44 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.757 -179.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.4 mp -68.42 -43.9 83.75 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.581 177.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 63' ' ' CYS . 51.4 mt-10 -64.54 -34.54 78.47 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 121.226 0.536 . . . . 0.0 109.729 178.361 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.35 -45.86 82.81 Favored Glycine 0 N--CA 1.435 -1.41 0 CA-C-N 115.192 -0.913 . . . . 0.0 112.053 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.548 ' O ' ' HG ' ' A' ' 73' ' ' LEU . . . -72.02 -46.42 57.18 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.929 -0.136 . . . . 0.0 111.192 -179.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -39.16 87.84 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-O 120.878 0.37 . . . . 0.0 110.159 -177.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -68.86 -41.59 82.04 Favored Glycine 0 C--O 1.239 0.424 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.036 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.56 -55.9 15.21 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.968 -0.616 . . . . 0.0 111.133 -178.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.644 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 4.3 pp -63.55 -35.28 79.97 Favored 'General case' 0 C--O 1.206 -1.206 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.571 -178.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.48 ' N ' HD11 ' A' ' 73' ' ' LEU . 9.3 tp10 -56.27 -53.39 57.75 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 121.318 0.58 . . . . 0.0 110.287 178.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 -60.89 -38.93 87.39 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.079 -179.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -73.6 -54.9 7.09 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.393 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.644 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 3.9 pp -58.51 -24.38 60.38 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -178.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.448 ' N ' HD13 ' A' ' 77' ' ' LEU . 12.0 mmtp -70.78 -20.06 62.64 Favored 'General case' 0 N--CA 1.437 -1.121 0 C-N-CA 119.897 -0.721 . . . . 0.0 111.487 -177.169 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 . . . . . 0 CA--C 1.512 -0.493 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.24 178.143 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 54.8 tp . . . . . 0 CA--C 1.517 -0.301 0 CA-C-O 120.761 0.315 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.17 -37.86 78.39 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.212 179.244 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 18.8 tpp85 -57.36 -49.75 75.17 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.252 0.549 . . . . 0.0 109.751 177.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -61.49 -44.35 97.23 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.58 179.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -58.79 -52.83 64.02 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.938 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 8.6 m-30 -55.52 -54.25 46.3 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.269 179.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.78 -37.94 80.48 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.319 -179.248 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -66.49 -47.18 73.85 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.556 178.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.2 -41.0 87.5 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 120.89 0.376 . . . . 0.0 110.518 178.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.521 ' O ' ' HG2' ' A' ' 98' ' ' LYS . 34.6 tt0 -61.0 -40.79 94.88 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.823 177.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.468 ' O ' HG13 ' A' ' 99' ' ' ILE . 79.9 m -60.7 -50.2 74.44 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.107 178.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.418 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 86.9 mt -68.54 -40.12 80.82 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.27 -176.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.459 ' O ' HD23 ' A' ' 101' ' ' LEU . 16.6 p -60.74 -49.72 76.36 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -177.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 94' ' ' GLN . 59.1 pttt -65.64 -30.46 71.17 Favored 'General case' 0 C--N 1.338 0.09 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.215 -178.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 95' ' ' THR . 74.8 mt -64.37 -43.06 97.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-O 121.145 0.498 . . . . 0.0 109.698 175.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 96' ' ' LEU . 94.2 mt -62.17 -44.36 96.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.361 179.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.459 HD23 ' O ' ' A' ' 97' ' ' SER . 4.3 mm? -55.98 -40.29 73.07 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.711 178.131 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 98' ' ' LYS . 51.3 mtmt -67.85 -35.89 79.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.403 179.28 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.488 ' OD1' HD11 ' A' ' 33' ' ' LEU . 4.6 t70 -70.51 -35.49 73.23 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.055 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 11.0 mp -63.95 -43.67 95.13 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 176.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.528 ' HA ' ' HG2' ' A' ' 108' ' ' GLU . 73.3 mmtt -63.24 -30.26 71.44 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.646 178.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -68.06 -40.72 82.73 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 176.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 26.1 m -65.74 -53.91 34.26 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.584 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.528 ' HG2' ' HA ' ' A' ' 105' ' ' LYS . 9.3 pt-20 -56.38 -37.29 69.88 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.343 178.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -57.17 -49.61 75.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.01 0.433 . . . . 0.0 110.737 177.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 35.5 mttp -64.19 -40.86 96.99 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -177.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.424 HG13 HG21 ' A' ' 55' ' ' ILE . 32.5 m -66.11 -34.92 73.44 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 C-N-CA 120.33 -0.548 . . . . 0.0 109.859 179.114 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -72.36 -18.13 61.77 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.727 175.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -76.21 -28.66 57.3 Favored 'General case' 0 CA--C 1.506 -0.714 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.717 177.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.7 mp -76.4 112.07 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.133 0.492 . . . . 0.0 110.083 176.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -69.01 126.41 29.72 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.655 176.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 36.8 p -116.47 175.72 5.43 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.341 -178.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 . . . . . 0 C--O 1.253 1.289 0 O-C-N 124.173 0.921 . . . . 0.0 111.603 179.791 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.494 HD13 ' HA ' ' A' ' 77' ' ' LEU . 16.1 mt . . . . . 0 C--O 1.235 0.31 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.535 HD13 ' CD1' ' A' ' 90' ' ' TYR . 14.7 mm -57.91 -35.3 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.347 179.036 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -59.12 -47.4 85.4 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.758 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -72.8 -25.76 61.27 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 121.038 0.447 . . . . 0.0 111.292 -178.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.34 -45.08 41.73 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 121.497 0.665 . . . . 0.0 109.278 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -64.49 -29.85 70.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.453 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -74.66 -45.34 45.32 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.539 178.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.73 -45.69 92.86 Favored 'General case' 0 CA--C 1.523 -0.091 0 N-CA-C 111.622 0.23 . . . . 0.0 111.622 179.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.5 pt -66.5 -32.37 57.74 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.173 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.572 179.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -61.72 -46.42 89.75 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 175.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -63.46 -44.99 92.9 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.014 178.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.62 -44.18 97.07 Favored Glycine 0 C--O 1.221 -0.666 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.357 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.445 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 36.0 tt0 -60.14 -44.86 94.62 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.302 0.572 . . . . 0.0 110.565 -179.269 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -65.79 -49.99 66.32 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.114 -178.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -29.71 69.66 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.037 -179.216 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.705 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 2.0 tm? -68.43 -50.09 55.25 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 177.517 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 30' ' ' GLU . 98.7 mt -64.31 -35.95 82.54 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.955 0.407 . . . . 0.0 110.502 -177.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -66.3 -49.4 67.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.523 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.4 tt -62.96 -31.12 72.16 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.822 -179.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.705 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 14.2 mm-40 -58.16 -33.14 68.88 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.054 0.455 . . . . 0.0 110.266 177.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -71.81 -31.76 66.89 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.226 179.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.43 ' O ' ' HB3' ' A' ' 42' ' ' GLU . 28.1 mm-40 -72.28 -41.36 66.76 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.132 0.491 . . . . 0.0 110.285 178.068 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -52.01 -46.29 64.89 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.549 174.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -58.57 -41.27 85.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.085 178.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.43 ' HB3' ' O ' ' A' ' 39' ' ' GLN . 4.7 tp10 -61.45 -43.39 98.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.898 179.301 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.409 ' CD2' HG21 ' A' ' 111' ' ' VAL . 48.5 tp -64.73 -31.61 72.92 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 120.769 0.318 . . . . 0.0 111.021 -177.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -60.26 -38.21 82.8 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -88.14 -40.65 13.58 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.607 -178.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.432 ' OD1' ' HB2' ' A' ' 48' ' ' SER . 4.7 t-20 -74.66 -36.36 62.83 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -176.047 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.443 ' O ' HG23 ' A' ' 116' ' ' THR . 0.1 OUTLIER 55.0 16.59 1.55 Allowed 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -177.308 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.432 ' HB2' ' OD1' ' A' ' 46' ' ' ASN . 31.2 t -67.63 128.21 35.62 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 179.045 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.585 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -64.27 -41.55 96.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.924 176.115 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.501 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 42.2 mt-10 -62.38 -42.94 99.8 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.56 177.185 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 38.8 tp -62.04 -39.5 92.54 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 177.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.547 ' HB3' ' O ' ' A' ' 49' ' ' LYS . 2.9 tp-100 -53.76 -50.75 65.35 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.229 175.055 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.525 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 14.6 mm-40 -59.28 -50.35 74.33 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.177 -179.096 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.501 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 32.4 mmtp -62.25 -43.95 97.67 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.659 0.266 . . . . 0.0 110.844 -178.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 63.4 mt -61.88 -50.67 79.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.533 -179.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 15.0 tt -69.12 -33.86 60.64 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.364 -178.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.525 ' HB2' ' O ' ' A' ' 53' ' ' GLU . 0.6 OUTLIER -67.91 -48.78 65.02 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.006 -179.672 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -68.22 -32.67 73.05 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.456 178.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 48.6 tp -61.58 -47.61 84.7 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 177.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -64.0 -49.57 71.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.432 -0.803 . . . . 0.0 112.611 -177.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 34.5 m -61.84 -39.04 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.692 -177.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 98.0 t -72.35 -37.01 56.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 178.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 47.8 t -63.15 -43.95 96.89 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.263 178.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.53 -49.26 67.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.604 -177.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 21.2 ptp -61.34 -35.86 78.58 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.401 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.3 mp -68.94 -40.85 81.55 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.79 178.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -64.57 -40.38 95.46 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 120.888 0.375 . . . . 0.0 110.494 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.02 -48.19 61.43 Favored Glycine 0 N--CA 1.444 -0.822 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.62 -179.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.16 -39.5 82.59 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.582 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 27.0 tt0 -60.72 -42.76 97.91 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-O 121.135 0.493 . . . . 0.0 109.717 179.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.8 -41.13 93.78 Favored Glycine 0 C--O 1.241 0.54 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.983 -178.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.65 -56.7 9.46 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.13 0.491 . . . . 0.0 110.309 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.537 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 57.0 tp -56.32 -43.64 79.18 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.397 -179.461 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.582 ' HB2' ' O ' ' A' ' 70' ' ' GLN . 1.8 tm-20 -54.16 -51.4 64.46 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.228 0.537 . . . . 0.0 110.49 179.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -59.65 -41.95 91.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.002 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -70.5 -54.4 12.37 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -178.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 3.6 pp -56.83 -22.63 37.98 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.441 ' N ' HD12 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -66.63 -9.65 37.91 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -178.395 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 15.7 mmm-85 . . . . . 0 CA--C 1.534 0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.842 179.778 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.7 tt . . . . . 0 C--O 1.236 0.386 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -59.98 -40.57 89.58 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.287 179.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.4 tpp180 -54.15 -52.51 60.91 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 120.999 0.428 . . . . 0.0 110.286 176.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -60.77 -50.29 74.06 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.867 -178.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.54 -53.98 50.94 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -177.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.535 ' CD1' HD13 ' A' ' 19' ' ' ILE . 4.6 m-85 -55.33 -51.48 66.62 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.956 0.407 . . . . 0.0 111.396 179.125 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -55.28 -50.72 68.8 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.904 179.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.75 -44.49 89.93 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.168 -176.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.59 -43.02 98.17 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-O 121.092 0.473 . . . . 0.0 110.769 -178.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -66.79 -35.71 80.7 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.835 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.429 ' O ' HG13 ' A' ' 99' ' ' ILE . 90.1 m -56.84 -44.1 81.78 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.224 176.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 86.0 mt -69.2 -34.52 75.02 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.023 -179.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.415 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 37.2 m -57.17 -51.38 69.56 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.629 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -62.51 -37.16 84.96 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.679 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 95' ' ' THR . 81.0 mt -65.63 -46.49 89.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.939 0.399 . . . . 0.0 110.456 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 95.5 mt -61.47 -45.61 93.53 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.108 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 97' ' ' SER . 97.1 mt -63.56 -40.33 96.71 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.707 179.522 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.437 ' C ' ' HD2' ' A' ' 102' ' ' LYS . 5.4 tmmm? -65.47 -43.87 88.93 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.469 179.456 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -69.31 -34.32 74.48 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 -178.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 29.3 tp -63.39 -45.98 88.54 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.138 0.494 . . . . 0.0 109.862 177.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -60.64 -29.43 69.26 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.443 176.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.579 ' O ' ' HG2' ' A' ' 110' ' ' LYS . 0.7 OUTLIER -66.62 -36.67 83.14 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 176.243 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 10.0 m -65.46 -47.08 77.33 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 177.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -51.2 -47.42 62.25 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.388 0.613 . . . . 0.0 109.941 175.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.529 ' HA ' ' HE2' ' A' ' 112' ' ' LYS . 21.0 tt0 -61.04 -42.4 98.4 Favored 'General case' 0 N--CA 1.437 -1.108 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.744 178.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.579 ' HG2' ' O ' ' A' ' 106' ' ' GLU . 11.6 mmpt? -65.09 -48.06 75.03 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.864 0.364 . . . . 0.0 111.616 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.409 HG21 ' CD2' ' A' ' 43' ' ' LEU . 9.7 p -63.24 -43.04 98.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 -178.187 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.529 ' HE2' ' HA ' ' A' ' 109' ' ' GLN . 43.0 pttt -74.05 -15.29 61.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.921 0.391 . . . . 0.0 110.948 178.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -78.55 -27.38 45.84 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.976 177.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.5 mp -73.15 121.0 22.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 CA-C-O 121.414 0.626 . . . . 0.0 110.84 178.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -77.1 118.91 20.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.389 176.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.443 HG23 ' O ' ' A' ' 47' ' ' LYS . 3.0 p -122.38 -165.99 1.36 Allowed 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 178.299 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.486 ' HB3' ' HD2' ' A' ' 49' ' ' LYS . 19.5 tp60 . . . . . 0 C--O 1.247 0.948 0 CA-C-O 118.605 -0.712 . . . . 0.0 109.801 178.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.443 HD12 ' N ' ' A' ' 19' ' ' ILE . 0.9 OUTLIER . . . . . 0 CA--C 1.54 0.58 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.443 ' N ' HD12 ' A' ' 18' ' ' LEU . 8.5 mm -69.53 -39.44 78.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 C-N-CA 120.482 -0.487 . . . . 0.0 111.141 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.5 -29.41 68.83 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.014 0.435 . . . . 0.0 110.249 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -67.81 -39.91 83.89 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.692 177.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.08 -37.73 57.87 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 121.707 0.765 . . . . 0.0 110.101 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -62.56 -35.36 79.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.609 -1.178 . . . . 0.0 109.694 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -69.72 -42.71 73.63 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.049 177.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.98 -45.83 93.21 Favored 'General case' 0 C--O 1.225 -0.202 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 35.0 pt -64.23 -37.82 80.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.999 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -60.84 -42.03 96.97 Favored 'General case' 0 C--O 1.245 0.861 0 CA-C-O 121.471 0.653 . . . . 0.0 109.316 176.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -65.83 -51.23 60.62 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.465 177.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.32 -44.41 89.56 Favored Glycine 0 C--O 1.224 -0.517 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.856 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -59.18 -43.32 92.15 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.183 0.516 . . . . 0.0 110.351 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.419 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 2.0 t60 -69.23 -47.49 64.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.839 -177.474 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.72 -28.66 64.9 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.364 -178.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.428 HD23 HD22 ' A' ' 104' ' ' LEU . 1.9 tm? -65.77 -48.57 71.39 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 176.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 31' ' ' HIS . 4.6 pp -67.03 -28.1 67.94 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.531 -0.467 . . . . 0.0 110.511 -179.066 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -67.79 -57.65 5.94 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.594 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -63.31 -31.2 72.29 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.106 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -62.82 -36.98 84.95 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 121.203 0.525 . . . . 0.0 109.76 178.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 48.5 t60 -65.76 -46.63 78.09 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 175.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -55.54 -44.39 76.68 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.516 176.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 31.6 tp -50.94 -48.86 60.72 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 123.413 0.685 . . . . 0.0 111.277 176.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -57.3 -41.56 80.07 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.805 0.336 . . . . 0.0 110.742 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -66.15 -43.3 87.4 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.515 0.674 . . . . 0.0 109.337 178.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.9 tp -56.64 -39.27 73.39 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.944 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.527 ' O ' ' HE3' ' A' ' 47' ' ' LYS . 10.6 m120 -57.59 -36.41 71.7 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.07 0.462 . . . . 0.0 111.013 178.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -82.87 -45.58 14.07 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.546 -178.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.485 ' HB3' ' OG ' ' A' ' 48' ' ' SER . 4.3 m-20 -76.25 -37.01 58.21 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -174.343 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.527 ' HE3' ' O ' ' A' ' 44' ' ' ASN . 31.3 mmtp 56.64 22.7 7.0 Favored 'General case' 0 N--CA 1.489 1.475 0 CA-C-O 121.627 0.727 . . . . 0.0 109.617 -175.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.485 ' OG ' ' HB3' ' A' ' 46' ' ' ASN . 39.7 m -67.36 116.9 8.63 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.401 -177.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.579 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 0.2 OUTLIER -59.38 -44.44 92.77 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.914 -178.864 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -64.52 -34.46 78.28 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.03 178.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.6 tp -67.07 -43.44 82.64 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 178.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -57.53 -46.65 83.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.86 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.579 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 17.2 mm-40 -60.16 -45.78 91.93 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.195 -177.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.2 mtmm -62.58 -43.7 98.15 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.895 0.378 . . . . 0.0 110.535 178.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 76.7 mt -61.95 -48.76 87.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.939 -178.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 69.0 mt -63.23 -41.79 94.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.28 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -69.12 -42.41 76.11 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -177.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.421 ' HA ' HG11 ' A' ' 61' ' ' VAL . 38.7 tt0 -72.53 -37.67 68.26 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.413 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.5 tp -62.21 -45.2 94.42 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -65.26 -46.73 79.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.994 -178.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.421 HG11 ' HA ' ' A' ' 58' ' ' GLU . 12.1 p -64.02 -37.66 80.38 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.218 -178.317 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 95.6 t -72.69 -37.03 54.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 177.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.487 ' SG ' ' HE3' ' A' ' 105' ' ' LYS . 44.6 t -64.3 -39.24 93.52 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 178.384 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.38 -44.12 79.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.283 -178.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 22.9 ptp -67.7 -36.65 81.04 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.138 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.5 mp -67.89 -40.34 83.34 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.374 176.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -63.13 -39.07 93.6 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 121.098 0.475 . . . . 0.0 110.021 177.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.33 -44.71 93.08 Favored Glycine 0 N--CA 1.445 -0.764 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.051 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.19 -40.95 86.62 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 115.722 -0.239 . . . . 0.0 110.396 179.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -60.36 -43.63 96.33 Favored 'General case' 0 C--O 1.226 -0.15 0 CA-C-O 121.09 0.472 . . . . 0.0 110.534 179.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -64.26 -45.26 94.0 Favored Glycine 0 C--O 1.248 1.017 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.005 -179.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.82 -55.38 15.11 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.243 -0.478 . . . . 0.0 110.093 -179.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.632 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 36.8 mt -50.97 -54.82 20.99 Favored 'General case' 0 CA--C 1.5 -0.959 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.96 179.539 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.557 ' O ' ' HB2' ' A' ' 78' ' ' LYS . 8.7 mt-10 -53.96 -48.38 70.37 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 123.507 0.504 . . . . 0.0 112.213 -176.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 48.3 ttp180 -58.18 -43.64 87.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.762 0.315 . . . . 0.0 110.539 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -72.44 -56.55 5.24 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.235 -177.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.632 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 4.2 pp -62.25 -27.64 69.14 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -177.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.557 ' HB2' ' O ' ' A' ' 74' ' ' GLU . 0.6 OUTLIER -65.08 -27.5 68.82 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-O 121.124 0.488 . . . . 0.0 110.621 -176.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.148 -179.553 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.3 tm? . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -58.56 -44.93 89.87 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.582 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -61.85 -39.57 92.34 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 120.379 -0.528 . . . . 0.0 111.31 -179.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -67.05 -42.49 84.71 Favored 'General case' 0 N--CA 1.457 -0.087 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.548 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -62.96 -42.08 99.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.288 178.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 8.3 m-30 -54.38 -54.25 43.15 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.426 175.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -58.7 -41.11 85.52 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.6 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.8 tm-20 -70.03 -45.23 67.64 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.71 -177.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.79 -47.4 85.3 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -57.67 -37.73 73.91 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.291 178.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.485 ' O ' HD13 ' A' ' 99' ' ' ILE . 94.5 m -56.48 -48.34 77.34 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.35 177.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.46 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 85.1 mt -72.19 -40.46 67.89 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.127 -178.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 49.5 m -53.7 -52.53 59.76 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.209 179.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -60.86 -41.98 96.94 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.414 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.485 HD13 ' O ' ' A' ' 95' ' ' THR . 1.5 mp -59.82 -42.77 90.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-O 120.748 0.309 . . . . 0.0 110.524 178.326 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 96' ' ' LEU . 97.8 mt -63.65 -46.85 83.77 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.183 179.181 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 95.5 mt -58.91 -44.06 91.21 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.365 179.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -57.42 -53.39 58.66 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.945 176.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.87 -36.59 70.27 Favored 'General case' 0 C--O 1.241 0.634 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.428 HD22 HD23 ' A' ' 33' ' ' LEU . 96.2 mt -62.72 -50.77 69.82 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 121.014 0.435 . . . . 0.0 110.149 177.02 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.487 ' HE3' ' SG ' ' A' ' 63' ' ' CYS . 0.7 OUTLIER -62.74 -31.83 72.85 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.365 179.061 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -62.19 -42.68 99.51 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 176.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 35.6 m -64.24 -48.65 74.99 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.652 178.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.467 ' O ' HG23 ' A' ' 111' ' ' VAL . 25.5 tt0 -51.74 -53.71 36.47 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.397 0.679 . . . . 0.0 111.261 177.347 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -56.21 -40.16 73.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.806 0.336 . . . . 0.0 111.253 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -68.98 -42.66 76.26 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -178.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 108' ' ' GLU . 33.7 m -66.51 -38.02 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 CA-C-O 120.975 0.417 . . . . 0.0 110.118 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.449 ' HZ1' ' HB3' ' A' ' 112' ' ' LYS . 4.8 mtpm? -64.7 -35.62 81.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.417 176.372 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.59 -23.14 58.69 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.686 -177.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.402 HG22 ' O ' ' A' ' 115' ' ' GLN . 1.0 OUTLIER -74.69 142.52 14.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 CA-C-O 121.302 0.572 . . . . 0.0 111.169 -179.202 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.402 ' O ' HG22 ' A' ' 114' ' ' ILE . 62.9 tt0 -68.57 162.01 26.73 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.236 177.243 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.4 p -153.09 140.92 20.11 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.266 -177.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 . . . . . 0 C--N 1.313 -1.021 0 CA-C-O 118.733 -0.651 . . . . 0.0 111.783 -178.012 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.4 mp . . . . . 0 C--O 1.239 0.514 0 CA-C-O 121.067 0.461 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.41 HG22 HD13 ' A' ' 19' ' ' ILE . 32.0 mm -63.99 -37.21 79.2 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.98 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.021 178.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -56.49 -47.77 78.58 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 120.967 0.413 . . . . 0.0 110.753 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -68.04 -36.83 80.55 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.899 -178.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.49 -41.47 55.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.681 0.753 . . . . 0.0 110.237 -178.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.544 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 56.4 t30 -63.51 -39.39 94.3 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.443 -1.253 . . . . 0.0 110.283 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 -72.38 -33.96 67.6 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 120.171 -0.612 . . . . 0.0 110.944 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.99 -43.18 99.51 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 121.158 -0.217 . . . . 0.0 111.25 178.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 31.4 pt -68.23 -31.84 53.26 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.125 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.844 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.544 ' HG3' ' O ' ' A' ' 23' ' ' ASN . 50.8 mt-10 -62.74 -40.57 97.64 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.282 0.563 . . . . 0.0 109.584 174.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -65.96 -44.8 83.91 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.317 178.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.96 -39.82 96.1 Favored Glycine 0 C--O 1.22 -0.764 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.033 177.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -58.42 -45.25 88.82 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.144 0.497 . . . . 0.0 110.625 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -67.23 -43.97 80.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.043 -177.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.83 -28.49 61.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.928 -177.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.422 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 1.6 tm? -65.51 -49.1 70.24 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 176.577 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.6 mt -65.45 -26.97 68.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.559 0.695 . . . . 0.0 109.76 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -67.18 -58.05 5.58 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.181 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -64.34 -31.22 72.34 Favored 'General case' 0 C--N 1.34 0.162 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.864 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 19.6 mm-40 -59.9 -37.28 78.98 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 121.227 0.537 . . . . 0.0 110.026 178.146 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -69.15 -35.03 75.9 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.185 178.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.444 ' HA ' ' OE1' ' A' ' 39' ' ' GLN . 11.0 mm-40 -67.51 -44.29 78.79 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-O 121.196 0.522 . . . . 0.0 109.667 179.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.8 tp -50.98 -45.64 61.06 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.727 176.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -58.81 -46.53 87.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.743 178.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -63.64 -40.81 97.81 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.88 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.0 tp -63.95 -31.9 73.25 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 120.625 0.25 . . . . 0.0 110.604 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -59.15 -31.52 69.04 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.039 178.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -83.58 -47.18 11.56 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.893 177.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -74.83 -37.94 62.15 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 121.166 0.508 . . . . 0.0 110.864 -175.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.441 ' O ' HG21 ' A' ' 116' ' ' THR . 0.1 OUTLIER 59.68 22.01 10.74 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.955 -179.044 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.6 t -71.32 129.61 39.3 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 121.128 0.49 . . . . 0.0 112.172 -176.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.429 ' HG3' ' H ' ' A' ' 50' ' ' GLU . 34.7 pttt -58.22 -47.84 82.24 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.641 175.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.452 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 35.6 mt-10 -60.9 -49.91 75.53 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.973 -178.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 56.1 tp -61.04 -40.84 95.14 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.219 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -58.41 -48.46 80.59 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.648 178.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -64.24 -42.52 96.5 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.952 -178.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.539 ' HZ1' ' HB3' ' A' ' 54' ' ' LYS . 8.4 mtpm? -64.56 -42.98 95.32 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 120.719 0.295 . . . . 0.0 110.404 178.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 71.6 mt -62.77 -53.69 43.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.486 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 16.2 tt -65.92 -32.79 59.7 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -177.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -68.46 -47.81 66.15 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.965 178.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -65.8 -36.18 82.78 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.001 0.429 . . . . 0.0 110.303 178.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 38.4 tp -61.64 -49.73 75.36 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.338 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -64.15 -45.75 87.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.084 -177.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 33.5 m -63.22 -38.1 81.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 C-N-CA 120.659 -0.416 . . . . 0.0 111.639 -178.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.419 ' HA ' ' HG2' ' A' ' 65' ' ' MET . 92.8 t -73.18 -37.87 53.39 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 178.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.425 ' O ' ' HB2' ' A' ' 67' ' ' GLU . 42.4 t -62.87 -38.28 90.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.222 0.534 . . . . 0.0 109.721 179.035 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.96 -49.66 49.52 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.468 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.419 ' HG2' ' HA ' ' A' ' 62' ' ' VAL . 22.7 ptp -62.36 -38.82 91.02 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.478 -178.674 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.3 mp -66.58 -41.61 88.62 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.527 177.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 63' ' ' CYS . 0.3 OUTLIER -66.93 -39.53 87.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.107 0.479 . . . . 0.0 110.362 -179.176 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.57 -45.42 93.07 Favored Glycine 0 N--CA 1.442 -0.934 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.074 -178.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.88 -41.22 75.06 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.424 -0.388 . . . . 0.0 110.176 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.673 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 0.7 OUTLIER -61.82 -45.14 95.13 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-O 121.137 0.494 . . . . 0.0 110.264 -178.917 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -68.94 -45.8 62.02 Favored Glycine 0 C--O 1.243 0.678 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.657 -178.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.67 -53.64 38.37 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-O 121.022 0.439 . . . . 0.0 110.946 -177.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.47 ' HG ' HD23 ' A' ' 77' ' ' LEU . 28.6 tp -60.19 -43.84 95.58 Favored 'General case' 0 C--O 1.214 -0.804 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.387 -179.289 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.673 ' HB2' ' O ' ' A' ' 70' ' ' GLN . 0.8 OUTLIER -54.48 -53.89 48.3 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-O 121.746 0.784 . . . . 0.0 110.762 -178.249 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 28.9 ttm-85 -56.67 -42.89 79.8 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.45 -178.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -73.25 -54.69 7.79 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.979 -178.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.492 HD12 ' N ' ' A' ' 78' ' ' LYS . 3.2 pp -53.2 -21.63 5.45 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -178.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.492 ' N ' HD12 ' A' ' 77' ' ' LEU . 21.6 mmtm -64.38 -45.13 89.04 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-O 121.127 0.489 . . . . 0.0 111.141 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.547 ' HD2' ' N ' ' A' ' 79' ' ' ARG . 4.8 mpt_? . . . . . 0 N--CA 1.468 0.435 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.488 -177.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 55.9 tp . . . . . 0 CA--C 1.519 -0.226 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -60.01 -39.39 85.64 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.229 178.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -58.58 -43.67 89.53 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-O 121.447 0.641 . . . . 0.0 109.816 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -70.04 -44.73 68.63 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.906 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -54.9 -51.97 64.36 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.692 178.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 15.0 m-30 -56.42 -45.24 80.79 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.567 179.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -58.19 -43.19 87.44 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.029 178.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -69.4 -36.9 77.2 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.209 0.528 . . . . 0.0 110.068 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.35 -46.22 89.66 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.769 179.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -57.23 -38.76 74.27 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.867 177.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.517 ' O ' HG13 ' A' ' 99' ' ' ILE . 43.6 m -59.03 -52.18 66.87 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.401 -178.298 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 90.1 mt -69.44 -37.81 77.56 Favored 'General case' 0 CA--C 1.516 -0.342 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.035 -177.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 42.6 m -58.14 -50.06 74.83 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.179 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -63.14 -39.67 95.35 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.154 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.517 HG13 ' O ' ' A' ' 95' ' ' THR . 80.4 mt -62.5 -41.22 91.11 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-O 121.167 0.508 . . . . 0.0 110.242 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -60.49 -47.81 84.51 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.75 178.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 95.0 mt -59.45 -39.85 84.93 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.804 179.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -63.93 -49.75 71.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.455 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -66.03 -36.9 84.52 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.492 -179.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 19.3 tp -61.93 -50.22 73.03 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.438 0.637 . . . . 0.0 110.118 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.4 ' O ' ' HB3' ' A' ' 108' ' ' GLU . 37.3 tttp -65.78 -25.54 67.3 Favored 'General case' 0 N--CA 1.439 -1.017 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.652 179.288 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.422 ' HG2' ' HE3' ' A' ' 110' ' ' LYS . 35.7 tt0 -65.67 -32.98 74.84 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 175.148 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 20.3 m -63.83 -46.56 84.49 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 175.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.4 ' HB3' ' O ' ' A' ' 105' ' ' LYS . 27.3 tt0 -51.36 -48.42 62.49 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.883 176.295 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.456 ' O ' ' HG2' ' A' ' 112' ' ' LYS . 57.0 tp60 -58.0 -43.24 86.5 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.079 179.447 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.422 ' HE3' ' HG2' ' A' ' 106' ' ' GLU . 96.8 mttt -71.97 -43.88 64.43 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.489 0.552 . . . . 0.0 112.489 -177.271 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.5 p -62.52 -42.8 97.19 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.458 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.456 ' HG2' ' O ' ' A' ' 109' ' ' GLN . 9.0 pttp -71.88 -21.3 61.67 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 121.029 0.442 . . . . 0.0 110.566 177.169 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -70.03 -32.67 70.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.217 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.405 HG22 HG23 ' A' ' 116' ' ' THR . 1.5 mp -69.44 118.25 13.47 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-O 120.833 0.349 . . . . 0.0 110.287 179.046 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -75.88 123.98 26.58 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 121.255 0.55 . . . . 0.0 110.052 176.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.441 HG21 ' O ' ' A' ' 47' ' ' LYS . 32.2 p -111.11 174.36 5.9 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -178.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 . . . . . 0 C--O 1.244 0.771 0 CA-C-N 114.909 -1.041 . . . . 0.0 111.135 -178.487 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.2 mt . . . . . 0 N--CA 1.468 0.438 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.427 HD12 ' CD1' ' A' ' 90' ' ' TYR . 24.0 mm -66.67 -36.12 76.47 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.525 0 CA-C-O 120.752 0.31 . . . . 0.0 110.5 -179.504 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -55.63 -46.4 77.43 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.263 178.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -66.29 -47.9 72.14 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 120.763 0.316 . . . . 0.0 110.437 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.59 -43.13 75.7 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 121.18 0.514 . . . . 0.0 110.92 177.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -60.36 -42.4 95.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.912 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -64.61 -45.17 88.06 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.345 177.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.5 -45.89 88.59 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.6 pt -65.26 -36.42 77.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 C-N-CA 120.524 -0.47 . . . . 0.0 111.015 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -63.94 -40.96 97.64 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-O 120.952 0.406 . . . . 0.0 110.254 175.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -65.55 -44.31 87.21 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 178.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.25 -43.14 93.69 Favored Glycine 0 C--O 1.222 -0.607 0 CA-C-N 115.479 -0.782 . . . . 0.0 112.188 177.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -56.51 -45.98 80.79 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.143 0.497 . . . . 0.0 110.353 178.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -64.18 -49.27 72.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.289 -177.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.05 -33.01 69.88 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -177.397 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.54 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 1.7 tm? -69.26 -50.3 48.22 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 178.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.409 ' O ' ' HD2' ' A' ' 38' ' ' HIS . 69.3 mt -63.85 -33.07 74.85 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -179.664 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -66.29 -52.03 51.49 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.272 178.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.43 ' O ' HD23 ' A' ' 36' ' ' LEU . 5.6 tt -60.1 -34.28 73.26 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.927 -178.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.54 ' HG3' ' O ' ' A' ' 33' ' ' LEU . 91.5 mt-30 -58.42 -37.63 75.77 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 120.927 0.394 . . . . 0.0 110.192 178.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.409 ' HD2' ' O ' ' A' ' 34' ' ' LEU . 68.5 m-70 -66.17 -38.09 87.24 Favored 'General case' 0 C--O 1.247 0.922 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.601 178.563 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -68.97 -42.77 76.13 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.263 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.4 HD21 HG21 ' A' ' 107' ' ' THR . 30.4 tp -51.42 -47.45 62.98 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.868 174.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -57.21 -40.0 76.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.246 0.546 . . . . 0.0 110.469 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -67.29 -44.26 79.72 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.053 176.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -58.58 -39.73 81.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.372 178.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -57.28 -34.07 68.28 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 121.042 0.449 . . . . 0.0 110.501 179.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -82.91 -42.9 17.14 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.854 -179.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.464 ' HB3' ' OG ' ' A' ' 48' ' ' SER . 23.9 m-80 -76.62 -35.94 57.75 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -176.242 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt 59.63 22.68 11.4 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 115.388 -0.823 . . . . 0.0 109.215 -175.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.464 ' OG ' ' HB3' ' A' ' 46' ' ' ASN . 53.0 m -69.18 120.1 14.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.176 -177.138 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.439 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 0.1 OUTLIER -62.45 -42.28 99.36 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.187 179.12 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 7.8 mm-40 -61.32 -46.01 92.04 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 116.784 -0.189 . . . . 0.0 111.06 179.191 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 45.2 tp -62.09 -41.54 98.29 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -60.29 -47.13 87.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.122 178.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.615 ' O ' ' HD3' ' A' ' 57' ' ' ARG . 7.3 mm-40 -61.09 -45.99 92.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.003 -178.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.451 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -62.86 -43.96 97.4 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 179.28 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 63.8 mt -61.23 -50.15 81.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.864 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 79.2 mt -61.94 -39.24 82.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.708 0.29 . . . . 0.0 110.942 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.615 ' HD3' ' O ' ' A' ' 53' ' ' GLU . 7.4 mpt_? -67.35 -48.45 67.46 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.604 -178.351 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.489 ' O ' HG21 ' A' ' 61' ' ' VAL . 10.8 pt-20 -69.49 -32.13 70.82 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 119.816 -0.754 . . . . 0.0 110.67 179.381 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.1 tt -61.84 -46.65 88.56 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 176.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -63.54 -43.81 96.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.888 -178.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.596 HG13 ' O ' ' A' ' 57' ' ' ARG . 5.3 m -63.8 -37.65 80.28 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 120.449 -0.501 . . . . 0.0 110.811 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 72.0 t -70.21 -39.29 76.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 177.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 42.4 t -62.61 -41.56 99.07 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.87 178.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.71 -48.1 70.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.374 -178.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.2 ptp -65.61 -36.33 83.42 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.626 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.5 mp -67.83 -43.15 86.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.475 177.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -61.13 -39.64 90.79 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.103 0.478 . . . . 0.0 110.524 178.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -68.44 -48.14 53.11 Favored Glycine 0 N--CA 1.439 -1.145 0 CA-C-N 115.325 -0.852 . . . . 0.0 113.104 -177.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.06 -44.0 70.05 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.505 0.187 . . . . 0.0 111.505 -178.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.621 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 10.6 pt20 -63.57 -36.44 83.81 Favored 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.285 -178.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -69.27 -43.96 68.16 Favored Glycine 0 C--O 1.24 0.525 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.06 178.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.8 -53.78 29.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.108 -0.546 . . . . 0.0 110.138 -178.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.597 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 48.3 tp -56.19 -44.72 79.71 Favored 'General case' 0 C--O 1.214 -0.769 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.409 179.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.621 ' HB2' ' O ' ' A' ' 70' ' ' GLN . 2.3 tm-20 -55.68 -49.88 71.77 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.154 0.502 . . . . 0.0 110.362 -179.096 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -57.24 -45.74 83.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.003 178.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -71.24 -54.54 10.56 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.47 -176.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 2.9 pp -58.27 -19.43 34.29 Favored 'General case' 0 CA--C 1.516 -0.34 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.419 ' N ' HD12 ' A' ' 77' ' ' LEU . 37.5 mmtt -72.64 -10.76 60.18 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 120.916 -0.314 . . . . 0.0 111.577 178.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 . . . . . 0 N--CA 1.463 0.194 0 CA-C-O 121.253 0.549 . . . . 0.0 110.033 -179.223 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.2 tm? . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.47 0.176 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -61.94 -41.12 97.59 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.714 -0.221 . . . . 0.0 111.155 -178.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -58.65 -45.68 88.8 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.065 0.46 . . . . 0.0 110.09 177.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -59.74 -42.17 92.58 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.647 177.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.77 -49.94 74.34 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.542 179.22 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.427 ' CD1' HD12 ' A' ' 19' ' ' ILE . 4.5 m-30 -54.72 -54.59 39.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.415 177.016 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -57.56 -48.6 78.89 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.045 -178.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.412 ' O ' ' HB ' ' A' ' 95' ' ' THR . 6.9 tp10 -66.33 -45.74 79.22 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.601 -177.635 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.98 -44.46 91.6 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-O 120.82 0.343 . . . . 0.0 111.017 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.448 ' O ' ' HG3' ' A' ' 98' ' ' LYS . 98.7 mt-30 -64.33 -35.02 79.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.397 178.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.49 ' O ' HG13 ' A' ' 99' ' ' ILE . 53.6 m -58.3 -46.77 85.5 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.943 175.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 85.6 mt -70.08 -34.91 73.76 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.09 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 46.6 m -60.06 -50.57 73.19 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.683 179.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 94' ' ' GLN . 43.5 mtmt -59.44 -38.14 79.94 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.629 179.268 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 95' ' ' THR . 84.2 mt -63.55 -45.84 96.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-O 121.278 0.561 . . . . 0.0 110.019 178.393 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 65.7 tp -59.16 -51.46 69.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.032 -0.985 . . . . 0.0 111.154 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.44 -39.77 88.68 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.043 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -64.15 -37.5 87.67 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.477 178.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -70.82 -34.99 72.29 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.299 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.06 -49.68 76.36 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 120.84 0.352 . . . . 0.0 110.407 177.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.43 ' O ' ' HG3' ' A' ' 109' ' ' GLN . 26.4 mtpp -64.24 -31.0 72.03 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.081 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.565 ' O ' ' HD3' ' A' ' 110' ' ' LYS . 42.8 tt0 -66.62 -41.34 88.5 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 177.442 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.424 ' O ' HG23 ' A' ' 111' ' ' VAL . 57.0 m -67.68 -43.13 80.92 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 114.944 -1.025 . . . . 0.0 109.469 178.206 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -49.4 -55.67 12.23 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 123.621 0.768 . . . . 0.0 111.03 174.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.43 ' HG3' ' O ' ' A' ' 105' ' ' LYS . 88.3 mt-30 -59.2 -34.26 71.95 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.641 -179.54 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.565 ' HD3' ' O ' ' A' ' 106' ' ' GLU . 4.7 mptp? -66.22 -45.56 80.25 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.162 0.506 . . . . 0.0 111.71 179.166 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 107' ' ' THR . 46.7 t -60.22 -46.47 94.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.709 178.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -72.36 -15.23 61.86 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.274 -0.876 . . . . 0.0 111.173 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.451 ' HB3' ' O ' ' A' ' 110' ' ' LYS . 17.6 t70 -75.24 -31.48 60.84 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.073 178.262 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -73.9 125.01 32.41 Favored 'Isoleucine or valine' 0 C--O 1.242 0.664 0 CA-C-O 121.464 0.65 . . . . 0.0 111.33 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 27.0 pt20 -77.04 118.88 20.03 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.906 177.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 50.1 p -110.1 171.58 7.37 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -178.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 . . . . . 0 C--O 1.243 0.748 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.517 -179.093 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.9 mt . . . . . 0 N--CA 1.467 0.385 0 CA-C-O 121.004 0.43 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.472 HD12 ' CD1' ' A' ' 90' ' ' TYR . 23.4 mm -64.0 -23.95 34.59 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-O 121.2 0.524 . . . . 0.0 110.39 178.342 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.419 ' HA ' ' ND2' ' A' ' 23' ' ' ASN . 1.7 tm-20 -62.59 -53.11 59.45 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.216 176.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -61.09 -36.17 78.95 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.192 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.7 -50.49 13.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.997 -175.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.419 ' ND2' ' HA ' ' A' ' 20' ' ' GLU . 1.8 p30 -64.65 -32.57 74.29 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.066 -176.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -76.06 -39.3 55.75 Favored 'General case' 0 N--CA 1.443 -0.816 0 C-N-CA 120.38 -0.528 . . . . 0.0 111.312 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.96 -45.85 80.24 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 120.659 0.266 . . . . 0.0 111.513 179.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.7 pp -66.74 -32.11 56.56 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.151 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -63.2 -44.81 94.29 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 176.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.509 ' HB2' ' HZ1' ' A' ' 28' ' ' LYS . 4.8 ttmp? -65.23 -43.17 92.29 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.12 178.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.455 ' O ' ' HG3' ' A' ' 32' ' ' GLN . . . -61.33 -41.74 99.59 Favored Glycine 0 C--N 1.336 0.577 0 C-N-CA 121.219 -0.515 . . . . 0.0 111.984 179.191 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.524 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 35.8 tt0 -57.69 -49.31 76.95 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 123.03 0.532 . . . . 0.0 110.554 179.244 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -68.81 -39.74 79.9 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.234 -177.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.455 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -69.38 -29.38 67.14 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.004 178.425 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -66.11 -45.56 80.74 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 176.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 30' ' ' GLU . 69.3 mt -65.4 -35.24 80.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.968 179.408 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -66.48 -55.67 14.55 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.123 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.61 -30.69 70.0 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.882 0.372 . . . . 0.0 111.233 -178.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -57.82 -33.75 68.94 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-O 121.363 0.601 . . . . 0.0 109.781 178.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -69.55 -40.71 76.66 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.889 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -56.85 -43.71 81.43 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.142 176.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.4 tt -50.5 -49.13 56.34 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.466 175.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -56.49 -41.36 76.52 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 120.81 0.338 . . . . 0.0 111.568 179.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -68.1 -44.05 77.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.48 0.657 . . . . 0.0 109.487 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.1 tp -57.17 -42.4 81.07 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.296 178.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.636 ' O ' ' HE3' ' A' ' 47' ' ' LYS . 7.1 m-20 -59.24 -35.15 73.16 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.023 0.44 . . . . 0.0 111.193 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -79.4 -46.76 16.96 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.435 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -77.91 -34.08 51.53 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -175.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.636 ' HE3' ' O ' ' A' ' 44' ' ' ASN . 33.1 mmtp 58.93 25.24 13.48 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.445 -177.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.2 m -68.5 119.45 12.98 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.757 -178.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.472 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.3 OUTLIER -61.25 -42.04 97.95 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.911 179.283 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.451 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 5.4 pt-20 -64.57 -41.9 95.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.56 178.196 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 61.4 tp -64.48 -40.44 95.68 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -56.76 -47.93 78.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.522 178.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.487 ' HB3' ' NH1' ' A' ' 57' ' ' ARG . 43.1 mt-10 -63.43 -43.11 98.4 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.255 -177.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.461 ' HB3' ' HZ3' ' A' ' 54' ' ' LYS . 7.8 mtpm? -64.59 -41.86 95.97 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.972 0.415 . . . . 0.0 110.317 179.181 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.45 ' O ' ' HB2' ' A' ' 59' ' ' LEU . 70.3 mt -60.21 -45.14 96.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.092 178.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 80.5 mt -67.51 -36.35 76.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.18 178.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.487 ' NH1' ' HB3' ' A' ' 53' ' ' GLU . 2.4 mpt_? -65.8 -46.26 79.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.801 -0.181 . . . . 0.0 111.056 -179.369 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.465 ' HA ' HG13 ' A' ' 61' ' ' VAL . 7.6 mm-40 -71.98 -32.75 67.54 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.137 178.16 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' A' ' 55' ' ' ILE . 13.5 tp -63.09 -48.62 77.82 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.282 0.563 . . . . 0.0 109.656 177.533 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.47 ' HA ' ' SG ' ' A' ' 63' ' ' CYS . 27.5 t70 -61.47 -47.32 86.2 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.177 -179.281 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.465 HG13 ' HA ' ' A' ' 58' ' ' GLU . 7.5 p -63.85 -40.59 89.6 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -179.607 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 76.8 t -71.95 -41.0 68.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.598 -178.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.47 ' SG ' ' HA ' ' A' ' 60' ' ' ASP . 21.1 p -66.36 -32.77 74.37 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 119.771 -0.772 . . . . 0.0 110.667 -179.036 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.18 -46.13 61.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.436 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 21.9 ptp -65.65 -41.1 92.95 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.31 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.4 mp -65.44 -43.91 94.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.836 178.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -68.44 -36.19 78.68 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 120.83 0.348 . . . . 0.0 111.298 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -68.18 -45.42 71.25 Favored Glycine 0 N--CA 1.442 -0.966 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.212 -179.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.57 -41.24 72.68 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.06 -41.48 96.69 Favored 'General case' 0 C--O 1.217 -0.609 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.407 ' O ' ' HG3' ' A' ' 74' ' ' GLU . . . -68.86 -46.87 58.47 Favored Glycine 0 C--O 1.245 0.806 0 CA-C-N 115.185 -0.916 . . . . 0.0 112.56 -179.161 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.47 -54.66 21.51 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.123 0.487 . . . . 0.0 110.723 -177.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.424 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 29.3 tp -56.14 -48.03 77.05 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.261 -179.302 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.665 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 2.5 pp20? -58.92 -40.42 84.5 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.931 -177.23 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -59.42 -44.34 92.89 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.249 177.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -65.06 -55.38 19.17 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.365 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.515 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 3.9 pp -60.13 -19.39 53.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.406 -179.187 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.665 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 29.8 mmtm -69.79 -38.54 76.71 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 121.009 0.433 . . . . 0.0 111.156 179.022 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 61.0 mtp85 . . . . . 0 CA--C 1.509 -0.601 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.771 -179.022 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 60.3 tp . . . . . 0 CA--C 1.515 -0.381 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -61.76 -40.95 96.93 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.578 179.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -54.24 -49.73 68.81 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 121.023 0.44 . . . . 0.0 110.056 176.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -60.97 -43.75 98.31 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.04 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -61.33 -50.56 72.43 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.095 179.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.472 ' CD1' HD12 ' A' ' 19' ' ' ILE . 3.8 m-30 -53.92 -53.91 46.11 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.23 0.538 . . . . 0.0 110.411 176.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -54.98 -51.32 66.59 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.124 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -62.29 -42.81 99.67 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -176.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.37 -47.55 83.65 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-O 121.064 0.459 . . . . 0.0 110.578 -177.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -68.42 -33.58 74.47 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.191 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.421 ' O ' HG13 ' A' ' 99' ' ' ILE . 52.7 m -59.16 -46.71 87.68 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.075 176.085 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.454 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 92.0 mt -65.03 -39.21 93.05 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.85 178.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.532 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 47.1 t -56.35 -45.96 80.2 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.965 178.531 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 8.4 mmpt? -63.04 -41.5 99.51 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.399 -178.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 95' ' ' THR . 78.2 mt -63.53 -44.02 98.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.235 179.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 96' ' ' LEU . 99.3 mt -63.37 -41.31 98.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.772 179.321 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 97' ' ' SER . 90.3 mt -64.49 -44.94 89.4 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.989 179.36 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -62.12 -42.87 99.67 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.678 179.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -64.63 -34.45 78.31 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.525 -0.47 . . . . 0.0 109.833 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 17.1 tp -64.88 -45.49 85.76 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 178.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.502 ' HG2' ' O ' ' A' ' 101' ' ' LEU . 32.1 mmmt -57.96 -39.24 77.63 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.893 176.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.489 ' O ' ' HG3' ' A' ' 110' ' ' LYS . 8.6 tp10 -60.85 -38.79 86.76 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 177.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 27.8 m -62.11 -55.39 29.37 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.389 -178.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -56.07 -41.14 74.65 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.437 0.161 . . . . 0.0 111.359 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -61.45 -42.19 98.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.402 179.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.489 ' HG3' ' O ' ' A' ' 106' ' ' GLU . 29.5 mtpp -63.86 -41.11 97.87 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.4 0.619 . . . . 0.0 110.546 178.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 95.1 t -59.79 -42.28 88.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.535 177.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -66.96 -24.08 66.02 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.574 177.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -77.94 -21.7 50.68 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.733 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.1 mp -78.41 149.35 5.77 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-O 120.795 0.331 . . . . 0.0 110.379 -179.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -90.95 166.06 13.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.359 177.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.6 p -154.39 156.27 36.53 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.798 -0.183 . . . . 0.0 111.266 -172.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.715 -0.66 . . . . 0.0 110.976 177.432 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.7 mt . . . . . 0 N--CA 1.464 0.243 0 CA-C-O 120.829 0.347 . . . . 0.0 111.283 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.601 HD11 ' CD1' ' A' ' 90' ' ' TYR . 22.5 mm -64.09 -39.25 84.81 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.407 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.073 178.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -60.38 -34.48 73.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.72 178.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -71.4 -51.48 23.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.207 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.43 -43.51 83.93 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.195 177.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 41.0 t-20 -60.4 -37.92 82.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.683 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -68.28 -43.74 77.06 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.457 179.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.26 -47.97 77.52 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 35.7 pt -64.75 -36.69 78.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.103 -179.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -59.62 -45.4 92.05 Favored 'General case' 0 C--O 1.247 0.969 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 176.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.554 ' HB3' ' HZ2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -65.87 -41.63 91.37 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.706 177.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.37 -44.74 96.36 Favored Glycine 0 C--N 1.34 0.776 0 C-N-CA 121.341 -0.457 . . . . 0.0 112.577 179.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.5 tt0 -57.45 -46.77 83.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.263 0.554 . . . . 0.0 110.647 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.469 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 44.9 t-80 -63.6 -45.05 92.12 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.602 -177.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -72.84 -31.79 65.03 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.854 -0.338 . . . . 0.0 111.52 -179.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -65.24 -48.39 73.44 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 178.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 31' ' ' HIS . 4.7 pp -64.43 -27.0 68.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.049 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -69.92 -56.72 6.3 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.191 176.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 71.1 mt -62.71 -36.02 81.61 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.469 -175.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -59.56 -40.6 87.84 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 178.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 42.6 t60 -70.04 -33.69 72.29 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.156 177.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -65.11 -43.83 90.75 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.48 -41.17 69.23 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.147 175.661 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -59.57 -39.76 85.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.243 0.544 . . . . 0.0 109.985 178.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -67.05 -44.18 80.84 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.316 177.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 38.3 tp -55.65 -36.69 67.33 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.866 177.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -62.15 -33.45 74.52 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.353 0.597 . . . . 0.0 111.076 178.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -85.69 -48.36 8.92 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.007 -178.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.431 ' ND2' ' HB2' ' A' ' 48' ' ' SER . 59.2 t30 -78.85 -31.26 45.57 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 121.059 0.456 . . . . 0.0 111.371 -177.107 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.478 ' O ' HG23 ' A' ' 116' ' ' THR . 0.2 OUTLIER 58.17 22.52 9.22 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.439 -178.535 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.431 ' HB2' ' ND2' ' A' ' 46' ' ' ASN . 25.8 t -62.82 119.04 8.58 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.889 -178.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.598 ' H ' ' HD3' ' A' ' 49' ' ' LYS . 0.4 OUTLIER -63.48 -40.15 96.33 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.439 177.704 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.502 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 34.6 mt-10 -62.69 -45.98 90.28 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 177.259 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 63.6 tp -60.22 -40.69 91.03 Favored 'General case' 0 C--O 1.223 -0.327 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 176.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.441 ' HB3' ' O ' ' A' ' 49' ' ' LYS . 18.9 tt0 -55.63 -49.4 72.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.672 176.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -61.48 -47.04 87.46 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.45 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.502 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 14.4 mmmm -59.45 -40.91 88.35 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 178.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.7 mt -62.57 -47.82 91.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.168 178.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 35.8 mm -59.86 -42.67 89.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-O 120.973 0.416 . . . . 0.0 110.619 177.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? -68.08 -44.92 75.18 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.895 -177.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.429 ' O ' HG23 ' A' ' 62' ' ' VAL . 7.5 tp10 -73.02 -34.8 66.57 Favored 'General case' 0 N--CA 1.432 -1.363 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.276 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.6 tp -61.99 -46.67 88.2 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 178.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -58.69 -49.66 76.74 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.142 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.3 p -63.02 -37.18 78.67 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 CA-C-O 120.821 0.343 . . . . 0.0 110.844 -178.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 58' ' ' GLU . 53.9 t -68.03 -44.85 84.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.166 177.575 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 76.3 m -61.75 -42.39 98.91 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.27 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.77 -48.05 67.44 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -178.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 21.3 ptp -65.36 -39.71 92.68 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.555 -178.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.4 mp -64.77 -43.45 96.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.429 178.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -66.46 -37.88 86.11 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 120.806 0.336 . . . . 0.0 111.23 -179.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.98 -48.11 68.5 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 121.066 -0.588 . . . . 0.0 112.456 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.31 -40.89 86.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.966 -0.117 . . . . 0.0 110.747 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.656 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 16.3 mt-30 -62.77 -43.26 99.26 Favored 'General case' 0 C--O 1.21 -0.976 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.828 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.84 -43.77 93.31 Favored Glycine 0 C--O 1.239 0.414 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.554 -177.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.49 -54.19 26.76 Favored 'General case' 0 C--O 1.242 0.679 0 CA-C-O 121.336 0.589 . . . . 0.0 110.468 -178.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.548 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 53.2 tp -60.19 -41.84 93.79 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.177 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.656 ' HB2' ' O ' ' A' ' 70' ' ' GLN . 1.4 tm-20 -54.14 -51.71 63.41 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.996 0.427 . . . . 0.0 110.621 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -58.31 -39.17 78.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.843 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -72.69 -55.85 6.18 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.244 -178.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.647 ' O ' ' HE2' ' A' ' 90' ' ' TYR . 3.5 pp -62.33 -21.16 65.06 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -178.42 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.459 ' HZ3' ' CD ' ' A' ' 74' ' ' GLU . 16.6 mmtp -68.36 -17.07 64.15 Favored 'General case' 0 C--N 1.305 -1.328 0 C-N-CA 119.74 -0.784 . . . . 0.0 111.892 -177.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 39.2 ttt85 . . . . . 0 N--CA 1.447 -0.606 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.969 178.293 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.8 tt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.496 0.188 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -59.1 -40.31 84.9 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.367 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -61.2 -45.08 96.06 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.161 0.505 . . . . 0.0 110.653 -178.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -70.23 -48.18 58.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.297 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -56.47 -50.72 70.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.523 -179.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.647 ' HE2' ' O ' ' A' ' 77' ' ' LEU . 4.1 m-30 -55.64 -44.72 77.43 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.816 176.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -59.79 -40.86 89.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.479 -179.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -65.64 -47.42 75.64 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.348 178.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.66 -46.29 84.42 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.715 0.293 . . . . 0.0 110.75 178.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.419 ' O ' ' HG3' ' A' ' 98' ' ' LYS . 50.2 mt-30 -58.61 -38.63 78.4 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.169 177.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.52 ' O ' HG13 ' A' ' 99' ' ' ILE . 97.6 m -60.88 -49.17 78.54 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.827 179.188 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 81.9 mt -67.98 -37.16 81.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.185 -178.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.441 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 43.3 m -58.12 -48.97 78.58 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.8 179.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 94' ' ' GLN . 95.4 mttt -65.07 -32.47 74.2 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.164 -178.355 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.52 HG13 ' O ' ' A' ' 95' ' ' THR . 72.0 mt -67.49 -46.0 84.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-O 120.998 0.428 . . . . 0.0 110.244 177.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -61.58 -45.64 93.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.433 -179.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 97' ' ' SER . 97.2 mt -59.8 -41.94 92.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.478 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -65.39 -40.13 93.08 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.215 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -68.6 -36.33 78.54 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 30.8 tp -65.44 -44.23 87.96 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 121.233 0.539 . . . . 0.0 109.885 178.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -59.24 -30.24 68.11 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.064 176.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -68.31 -32.43 72.56 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 176.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 17.6 m -63.44 -49.36 74.01 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 176.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -53.06 -46.31 68.49 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.722 175.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -59.59 -40.63 88.07 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.889 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.6 tppt? -64.55 -49.24 72.0 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.764 -178.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 7.7 p -67.69 -39.67 82.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.499 -177.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 17.5 pttp -69.38 -20.59 63.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.889 0.376 . . . . 0.0 110.544 178.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -77.29 -30.06 54.03 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.054 178.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.4 mp -70.92 119.17 16.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 CA-C-O 121.811 0.815 . . . . 0.0 111.405 -178.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 14.9 pm0 -76.91 117.7 18.77 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.763 -1.108 . . . . 0.0 110.441 175.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.478 HG23 ' O ' ' A' ' 47' ' ' LYS . 11.7 p -118.45 -170.25 1.86 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.54 0.21 . . . . 0.0 111.369 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 55.4 tp60 . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.456 -0.783 . . . . 0.0 110.342 -178.516 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 77' ' ' LEU . 64.2 mt . . . . . 0 C--O 1.24 0.601 0 CA-C-O 120.92 0.391 . . . . 0.0 111.507 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.417 HG22 HD12 ' A' ' 19' ' ' ILE . 18.2 mm -59.24 -33.63 51.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.245 179.035 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.09 -51.83 68.36 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -59.82 -38.38 81.82 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.353 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.08 -38.15 69.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.516 0.674 . . . . 0.0 109.958 -179.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.59 -34.92 79.39 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.752 178.618 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.17 -46.01 71.91 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.349 178.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.478 ' O ' ' HG2' ' A' ' 28' ' ' LYS . . . -60.98 -46.5 90.49 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 178.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.3 pt -63.87 -35.59 73.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.057 -0.657 . . . . 0.0 110.71 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.412 ' O ' ' HD2' ' A' ' 31' ' ' HIS . 49.3 tp10 -60.24 -50.46 73.58 Favored 'General case' 0 C--O 1.247 0.956 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.119 177.304 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.478 ' HG2' ' O ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -64.23 -42.71 96.44 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 120.464 -0.495 . . . . 0.0 109.878 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.73 -43.89 96.13 Favored Glycine 0 C--N 1.341 0.81 0 CA-C-N 116.361 -0.381 . . . . 0.0 113.096 179.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.41 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 41.0 mt-10 -57.31 -48.48 78.83 Favored 'General case' 0 CA--C 1.508 -0.673 0 CA-C-O 120.747 0.308 . . . . 0.0 111.213 179.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.412 ' HD2' ' O ' ' A' ' 27' ' ' GLU . 31.4 m-70 -67.31 -32.79 74.01 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.539 -0.464 . . . . 0.0 111.33 -178.063 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -69.1 -45.28 70.61 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 176.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.403 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 1.8 tm? -61.06 -51.43 69.21 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.727 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 30' ' ' GLU . 42.1 mt -63.85 -29.39 70.58 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 120.927 0.394 . . . . 0.0 110.347 -179.255 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -66.37 -54.14 27.88 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.251 177.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.0 mt -61.01 -32.43 72.02 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.571 -179.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' A' ' 33' ' ' LEU . 87.3 mt-30 -61.66 -34.28 75.44 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.182 0.515 . . . . 0.0 110.265 177.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -70.48 -39.25 74.33 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.102 177.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -62.8 -42.17 99.59 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 177.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -50.13 -51.42 43.38 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.527 176.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -56.36 -43.51 79.21 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-O 120.963 0.411 . . . . 0.0 110.978 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -64.45 -45.94 85.28 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 121.452 0.644 . . . . 0.0 110.148 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 39.8 tp -56.27 -41.53 75.98 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.936 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -57.81 -34.68 69.9 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.858 0.361 . . . . 0.0 111.109 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -80.03 -44.9 19.31 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.035 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -77.39 -35.9 53.96 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -176.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.402 ' O ' HG22 ' A' ' 116' ' ' THR . 43.0 mmtm 58.53 21.55 8.72 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.576 -175.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.0 t -68.9 124.9 24.97 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.303 -176.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.594 ' H ' ' HD3' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -63.61 -39.87 95.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.564 176.538 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -65.66 -45.92 81.13 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.116 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.423 ' O ' HG13 ' A' ' 55' ' ' ILE . 46.9 tp -62.87 -41.34 99.35 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 178.487 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -58.13 -43.94 87.53 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.896 178.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.76 ' O ' ' HG2' ' A' ' 57' ' ' ARG . 12.3 mm-40 -59.22 -51.21 70.96 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.621 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -63.69 -41.79 98.1 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.718 0.294 . . . . 0.0 110.616 -177.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.505 ' O ' ' HB2' ' A' ' 59' ' ' LEU . 81.8 mt -59.28 -41.36 83.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.325 179.078 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 80.6 mt -72.26 -36.56 56.09 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 178.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.76 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 31.3 mmt180 -66.45 -52.2 48.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.016 -178.109 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.47 -32.99 74.71 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.998 179.464 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.505 ' HB2' ' O ' ' A' ' 55' ' ' ILE . 5.7 tt -62.6 -46.66 87.28 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 177.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -59.01 -45.74 89.95 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.43 -178.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 57' ' ' ARG . 61.6 t -62.16 -47.96 90.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.949 0.404 . . . . 0.0 111.202 -179.397 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.5 t -66.83 -39.83 84.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.721 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 43.6 t -61.99 -41.59 98.21 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.051 0.453 . . . . 0.0 109.995 178.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.45 -49.57 73.15 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.61 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 22.4 ptp -64.74 -35.67 81.83 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.554 -0.459 . . . . 0.0 110.62 -178.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.4 mp -67.6 -46.94 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.094 178.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -62.31 -35.13 78.09 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.188 0.518 . . . . 0.0 110.094 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.27 -43.74 94.78 Favored Glycine 0 N--CA 1.438 -1.179 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.74 178.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 73' ' ' LEU . . . -70.27 -41.55 73.29 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 115.867 -0.167 . . . . 0.0 111.062 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -57.16 -43.21 82.32 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.226 0.536 . . . . 0.0 110.146 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.72 -46.61 73.92 Favored Glycine 0 CA--C 1.525 0.676 0 CA-C-N 115.189 -0.914 . . . . 0.0 112.701 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.53 -29.35 64.66 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-O 121.207 0.527 . . . . 0.0 111.33 -176.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.611 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 1.3 mm? -73.22 -56.45 5.07 Favored 'General case' 0 CA--C 1.5 -0.972 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.332 -174.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -56.68 -45.49 81.71 Favored 'General case' 0 C--O 1.215 -0.716 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.041 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 52.8 ttp180 -53.79 -47.83 70.39 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.75 -179.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.92 -56.22 4.78 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -179.025 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 4.3 pp -58.47 -26.2 63.12 Favored 'General case' 0 C--O 1.217 -0.622 0 N-CA-C 112.789 0.662 . . . . 0.0 112.789 -176.144 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.434 ' N ' HD13 ' A' ' 77' ' ' LEU . 11.0 mmmm -72.35 -31.77 65.91 Favored 'General case' 0 N--CA 1.435 -1.212 0 CA-C-O 121.077 0.465 . . . . 0.0 111.575 -178.152 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 . . . . . 0 CA--C 1.511 -0.553 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.997 -177.488 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.6 tm? . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -61.13 -45.48 94.47 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.214 177.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.6 ppt_? -62.52 -32.55 73.51 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 120.166 -0.614 . . . . 0.0 110.577 -178.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -69.76 -41.9 74.58 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.391 177.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -59.03 -49.34 78.25 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.308 0.575 . . . . 0.0 109.532 177.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -55.97 -47.59 77.38 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.277 178.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -56.0 -46.71 78.66 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.72 178.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -63.33 -48.84 76.34 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.079 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.43 -44.88 85.04 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.129 0.49 . . . . 0.0 110.527 179.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -60.35 -42.19 95.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.858 177.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.502 ' O ' HG13 ' A' ' 99' ' ' ILE . 63.1 m -58.92 -53.36 59.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.27 177.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 86.7 mt -68.93 -39.26 79.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.881 -175.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.424 ' O ' HD21 ' A' ' 101' ' ' LEU . 31.6 p -60.84 -51.1 70.76 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -177.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -67.45 -29.61 69.11 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 120.562 -0.455 . . . . 0.0 111.38 -178.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 95' ' ' THR . 74.7 mt -64.16 -45.33 96.72 Favored 'Isoleucine or valine' 0 C--N 1.343 0.295 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 175.098 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 69.0 tp -62.8 -45.96 90.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.138 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.424 HD21 ' O ' ' A' ' 97' ' ' SER . 4.1 mm? -60.38 -43.29 96.74 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.965 179.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 22.2 ttpp -60.3 -52.21 66.23 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.231 178.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.65 -34.06 70.79 Favored 'General case' 0 C--O 1.242 0.687 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 61.1 tp -63.45 -48.0 79.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.992 0.425 . . . . 0.0 110.132 177.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.444 ' O ' ' HG3' ' A' ' 109' ' ' GLN . 95.0 mttt -60.62 -32.07 71.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.159 178.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -62.73 -42.23 99.56 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.538 0.685 . . . . 0.0 109.516 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.502 ' O ' HG22 ' A' ' 111' ' ' VAL . 10.8 m -66.79 -47.13 73.07 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.133 -0.94 . . . . 0.0 109.966 179.504 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -51.75 -52.07 51.48 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 122.448 0.299 . . . . 0.0 111.45 177.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 105' ' ' LYS . 77.4 mt-30 -54.68 -41.85 70.7 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.266 178.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.8 ttmm -62.92 -45.49 92.25 Favored 'General case' 0 N--CA 1.438 -1.039 0 CA-C-O 121.385 0.612 . . . . 0.0 110.611 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 107' ' ' THR . 99.0 t -58.83 -51.83 67.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.684 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 109' ' ' GLN . 13.5 ptmm? -69.1 -21.81 64.02 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.454 -178.571 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -79.15 -21.62 46.24 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.3 mp -71.49 120.48 19.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 174.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -71.19 123.18 21.61 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.083 0.468 . . . . 0.0 111.127 177.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.402 HG22 ' O ' ' A' ' 47' ' ' LYS . 60.5 p -115.95 -174.49 2.55 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.74 177.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 . . . . . 0 C--O 1.253 1.268 0 C-N-CA 123.194 0.598 . . . . 0.0 110.91 -179.312 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.1 mt . . . . . 0 N--CA 1.476 0.83 0 CA-C-O 121.349 0.595 . . . . 0.0 111.522 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.542 HD11 ' CD1' ' A' ' 90' ' ' TYR . 27.4 mm -66.54 -25.63 35.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.12 0.486 . . . . 0.0 109.915 178.511 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -57.33 -53.46 57.87 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.056 177.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -61.88 -44.4 96.88 Favored 'General case' 0 CA--C 1.501 -0.925 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.953 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.78 -52.83 62.61 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.156 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -66.83 -40.91 88.15 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -69.74 -40.29 76.28 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 119.722 -0.791 . . . . 0.0 111.057 -179.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.13 -41.79 98.6 Favored 'General case' 0 C--O 1.225 -0.214 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 178.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.2 pt -68.6 -35.78 71.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 C-N-CA 120.418 -0.513 . . . . 0.0 111.306 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.62 -47.67 77.72 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 120.911 0.386 . . . . 0.0 110.334 176.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -65.08 -45.08 86.71 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.442 ' O ' ' HG3' ' A' ' 32' ' ' GLN . . . -58.75 -44.86 95.56 Favored Glycine 0 N--CA 1.444 -0.798 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.853 179.285 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.407 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 38.4 tt0 -61.51 -47.82 83.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.132 0.491 . . . . 0.0 110.91 -179.512 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -64.04 -45.1 90.33 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.585 -176.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.446 ' CD ' HG13 ' A' ' 62' ' ' VAL . 4.5 pp0? -71.25 -31.7 67.84 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.606 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.527 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 2.2 tm? -66.85 -46.34 75.38 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 178.364 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 30' ' ' GLU . 95.1 mt -65.01 -30.12 71.08 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 178.22 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -66.29 -55.94 13.63 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.099 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.441 ' CD1' HG23 ' A' ' 107' ' ' THR . 4.7 pp -62.82 -28.01 69.71 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.617 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.527 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 74.1 mm-40 -53.11 -39.84 63.73 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -64.9 -44.8 88.4 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.973 177.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -55.14 -52.6 62.78 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.063 178.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -50.44 -51.88 42.84 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.232 178.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -60.45 -39.07 86.23 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.269 0.557 . . . . 0.0 110.978 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -63.24 -41.2 99.06 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.351 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.7 tp -64.57 -35.19 80.18 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 122.481 0.312 . . . . 0.0 111.774 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -58.79 -33.8 70.75 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.146 0.498 . . . . 0.0 110.391 -178.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -84.07 -45.75 12.71 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.643 -179.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -74.18 -34.34 63.74 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 120.778 0.323 . . . . 0.0 111.461 -176.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.536 ' O ' HG21 ' A' ' 116' ' ' THR . 7.3 tppt? 57.33 21.3 6.62 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.678 -176.424 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.8 t -66.58 119.14 11.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.93 -179.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.509 ' HD2' ' H ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -61.97 -42.22 98.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.003 178.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.509 ' H ' ' HD2' ' A' ' 49' ' ' LYS . 4.3 pt-20 -67.78 -37.05 81.54 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 178.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 51.8 tp -63.62 -42.3 98.2 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.603 -0.439 . . . . 0.0 109.857 175.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.422 ' O ' HG21 ' A' ' 56' ' ' ILE . 2.6 tt0 -57.36 -43.76 83.78 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.507 176.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -56.87 -48.6 77.74 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.63 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.475 ' HB3' ' HZ2' ' A' ' 54' ' ' LYS . 3.4 mmmp? -64.07 -45.37 89.04 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.984 -179.459 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 82.0 mt -63.04 -52.0 64.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.194 -177.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.422 HG21 ' O ' ' A' ' 52' ' ' GLN . 16.3 tt -68.81 -33.18 57.99 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 C-N-CA 120.462 -0.495 . . . . 0.0 111.338 -178.028 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -69.22 -43.93 73.1 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.912 -0.131 . . . . 0.0 111.2 179.026 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -65.96 -33.68 76.37 Favored 'General case' 0 CA--C 1.517 -0.299 0 C-N-CA 119.986 -0.686 . . . . 0.0 110.154 177.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.408 ' O ' HD12 ' A' ' 59' ' ' LEU . 2.3 tm? -63.86 -46.23 85.92 Favored 'General case' 0 C--O 1.221 -0.431 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 177.399 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.546 ' HA ' ' SG ' ' A' ' 63' ' ' CYS . 22.9 t70 -57.73 -44.59 86.12 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.257 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 50.6 t -61.03 -47.66 92.58 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.195 178.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.446 HG13 ' CD ' ' A' ' 32' ' ' GLN . 89.7 t -71.57 -44.02 70.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -178.303 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.546 ' SG ' ' HA ' ' A' ' 60' ' ' ASP . 26.1 p -63.7 -37.5 87.58 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 119.795 -0.762 . . . . 0.0 110.215 -179.24 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.81 -43.96 82.46 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.933 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 21.3 ptp -70.62 -38.86 73.99 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.405 -0.518 . . . . 0.0 110.198 -179.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.5 ' O ' ' HB2' ' A' ' 70' ' ' GLN . 1.5 mp -63.41 -42.95 98.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.837 178.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -69.98 -36.94 75.58 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 120.813 0.339 . . . . 0.0 111.312 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.73 -47.19 69.19 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.091 -178.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.33 -37.78 80.88 Favored 'General case' 0 C--O 1.217 -0.627 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.5 ' HB2' ' O ' ' A' ' 66' ' ' ILE . 0.1 OUTLIER -60.89 -42.39 97.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.165 0.507 . . . . 0.0 109.671 -179.757 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -68.8 -45.81 63.28 Favored Glycine 0 CA--C 1.524 0.597 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.789 -178.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.99 -35.05 71.95 Favored 'General case' 0 C--O 1.249 1.042 0 CA-C-O 121.362 0.601 . . . . 0.0 111.029 -176.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 27.4 tp -74.17 -48.84 26.52 Favored 'General case' 0 CA--C 1.502 -0.885 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.011 -174.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.491 ' HA ' ' HG ' ' A' ' 77' ' ' LEU . 0.6 OUTLIER -59.19 -39.05 81.35 Favored 'General case' 0 N--CA 1.437 -1.116 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.894 -179.116 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.43 ' HA ' ' NE ' ' A' ' 75' ' ' ARG . 0.5 OUTLIER -59.14 -39.67 83.1 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.322 178.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -68.9 -56.69 7.1 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.726 0.298 . . . . 0.0 110.902 177.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.491 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 4.0 pp -63.34 -20.21 65.31 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -177.126 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -68.17 -9.02 43.68 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 -177.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 . . . . . 0 CA--C 1.534 0.349 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -174.112 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.1 tt . . . . . 0 C--O 1.233 0.225 0 CA-C-O 120.589 0.233 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -56.87 -49.54 75.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.499 -178.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -60.4 -39.58 87.87 Favored 'General case' 0 C--O 1.226 -0.132 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.872 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -62.18 -41.47 98.36 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.523 178.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.94 -48.19 74.99 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.687 179.347 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.542 ' CD1' HD11 ' A' ' 19' ' ' ILE . 3.6 m-30 -54.82 -53.95 48.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.102 178.001 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -56.69 -47.14 80.57 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.565 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -65.22 -45.77 83.35 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.329 -178.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.23 -46.69 82.74 Favored 'General case' 0 C--N 1.341 0.229 0 CA-C-O 120.632 0.253 . . . . 0.0 111.015 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 -62.82 -37.98 88.93 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.529 178.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.506 ' O ' HG13 ' A' ' 99' ' ' ILE . 89.2 m -59.17 -51.35 70.38 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.574 178.615 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 98.3 mt -69.9 -36.77 75.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.936 -178.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 23.2 t -58.93 -50.58 73.52 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.552 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -63.58 -34.4 77.73 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.245 -179.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 95' ' ' THR . 74.5 mt -63.53 -42.85 97.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-O 121.069 0.461 . . . . 0.0 109.851 177.287 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.411 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 87.8 mt -63.86 -40.41 96.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.783 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 83.1 mt -60.77 -44.56 96.61 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.74 178.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -65.48 -33.99 77.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.222 179.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.41 ' O ' ' HB3' ' A' ' 106' ' ' GLU . 7.9 t70 -71.4 -42.09 68.8 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.368 -0.533 . . . . 0.0 109.891 179.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 100' ' ' LEU . 96.3 mt -57.65 -44.87 85.97 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.851 0.358 . . . . 0.0 110.984 175.376 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.416 ' O ' ' HG3' ' A' ' 108' ' ' GLU . 66.3 mttm -61.73 -30.61 70.89 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.046 0.451 . . . . 0.0 111.255 177.507 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.41 ' HB3' ' O ' ' A' ' 103' ' ' ASP . 17.8 tp10 -68.31 -43.07 78.43 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.829 177.384 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.441 HG23 ' CD1' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -69.96 -48.96 56.24 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.232 -179.082 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -53.98 -41.62 68.07 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.592 0.234 . . . . 0.0 111.23 177.716 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.535 ' O ' ' HG2' ' A' ' 112' ' ' LYS . 51.5 tt0 -63.08 -38.95 93.22 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-O 120.755 0.312 . . . . 0.0 110.919 177.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.461 ' O ' ' HB3' ' A' ' 113' ' ' ASP . 31.7 mttp -67.56 -45.9 74.27 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -179.114 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 7.6 p -64.34 -40.61 89.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.917 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.535 ' HG2' ' O ' ' A' ' 109' ' ' GLN . 10.7 ptmm? -73.27 -18.91 61.17 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.114 0.483 . . . . 0.0 110.348 177.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.461 ' HB3' ' O ' ' A' ' 110' ' ' LYS . 17.9 t70 -71.57 -32.72 68.39 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.778 178.464 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.3 mp -72.93 123.69 28.25 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 CA-C-O 121.853 0.835 . . . . 0.0 111.04 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -80.3 119.31 22.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.784 -1.098 . . . . 0.0 109.565 178.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.536 HG21 ' O ' ' A' ' 47' ' ' LYS . 18.5 p -122.83 177.1 5.63 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 112.562 0.578 . . . . 0.0 112.562 -177.384 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 . . . . . 0 C--O 1.25 1.114 0 CA-C-N 115.155 -0.929 . . . . 0.0 111.089 179.754 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.4 mp . . . . . 0 N--CA 1.452 -0.368 0 CA-C-O 120.892 0.377 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.56 HD11 ' CD1' ' A' ' 90' ' ' TYR . 20.2 mm -65.4 -32.81 59.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.198 176.678 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -60.57 -50.63 72.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.547 177.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -62.71 -31.12 71.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.873 179.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.87 -45.18 36.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.52 0.676 . . . . 0.0 110.011 -179.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.46 -34.71 78.53 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.666 179.468 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -70.04 -45.24 67.56 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.554 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.62 -47.61 85.46 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.3 pt -64.35 -35.72 75.03 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.351 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.137 -179.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -59.98 -50.32 74.21 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.422 0.63 . . . . 0.0 109.328 177.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -65.55 -47.61 75.25 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.836 -178.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.409 ' O ' ' HG3' ' A' ' 32' ' ' GLN . . . -60.71 -43.49 99.02 Favored Glycine 0 C--O 1.222 -0.595 0 CA-C-N 115.92 -0.582 . . . . 0.0 113.049 -179.256 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -63.33 -40.18 96.6 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.239 0.542 . . . . 0.0 110.478 -178.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.433 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 20.6 t-80 -66.22 -48.58 70.1 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.893 -178.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -67.2 -28.53 68.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.265 179.136 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.61 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 1.9 tm? -69.15 -49.35 57.69 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 178.061 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 31' ' ' HIS . 4.6 pp -65.27 -30.3 71.16 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.512 -178.544 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 92.8 t80 -67.0 -47.67 70.78 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.98 177.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.414 HD11 ' O ' ' A' ' 36' ' ' LEU . 2.3 tm? -60.75 -35.52 76.6 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.423 -179.395 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.61 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 13.6 mm-40 -58.88 -32.64 69.67 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.011 0.434 . . . . 0.0 110.88 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -71.4 -33.24 69.3 Favored 'General case' 0 C--O 1.246 0.903 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.566 178.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -71.28 -42.13 69.13 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.529 178.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.9 tp -52.5 -45.12 66.07 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.574 174.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -57.13 -39.58 75.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.055 177.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -67.02 -42.06 85.56 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.741 176.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.6 tp -56.54 -40.15 74.6 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.954 178.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.478 ' O ' ' HE3' ' A' ' 47' ' ' LYS . 18.6 m-80 -58.52 -36.74 74.32 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.085 0.469 . . . . 0.0 110.804 177.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -82.02 -46.39 14.01 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.773 -178.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -76.53 -35.76 58.1 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 -176.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.478 ' HE3' ' O ' ' A' ' 44' ' ' ASN . 34.2 mmtp 58.7 22.74 10.3 Favored 'General case' 0 N--CA 1.483 1.222 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.517 -177.106 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.9 t -69.08 121.44 16.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.669 -178.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.611 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -60.92 -45.19 95.67 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.915 179.406 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.527 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 9.1 pt-20 -68.04 -30.99 70.34 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.668 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 59.1 tp -68.52 -45.04 73.3 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 177.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -57.32 -44.65 84.36 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.278 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.708 ' O ' ' HG2' ' A' ' 57' ' ' ARG . 35.2 tt0 -63.26 -47.7 81.3 Favored 'General case' 0 N--CA 1.429 -1.505 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.11 -178.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.527 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 44.3 mtmt -63.08 -42.47 99.64 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.56 -179.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 64.5 mt -58.08 -45.46 88.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.978 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 15.5 tt -71.76 -30.31 37.34 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.046 178.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.708 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 10.2 mmt180 -67.12 -52.74 37.96 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.892 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -69.41 -33.43 72.99 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.472 -178.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 51.3 tp -63.38 -43.52 97.37 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -63.45 -48.84 76.06 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.247 -178.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 31.5 m -63.67 -38.22 81.71 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 C-N-CA 120.614 -0.434 . . . . 0.0 111.692 -177.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 89.1 t -71.53 -37.25 63.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 177.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.504 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 50.8 t -62.98 -42.77 99.93 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 178.48 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.7 -49.81 64.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.665 -177.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.1 ptp -61.04 -38.0 84.62 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.509 -179.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.4 mp -66.66 -41.64 88.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.993 178.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' A' ' 63' ' ' CYS . 44.1 mt-10 -64.31 -37.01 85.97 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 121.16 0.505 . . . . 0.0 110.669 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.78 -46.59 73.57 Favored Glycine 0 N--CA 1.443 -0.877 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.469 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.45 -42.26 79.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.898 -0.151 . . . . 0.0 110.955 -178.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.433 ' HG2' ' HA ' ' A' ' 67' ' ' GLU . 18.0 pt20 -64.11 -39.73 94.67 Favored 'General case' 0 C--O 1.217 -0.638 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.58 -178.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.96 -43.24 91.77 Favored Glycine 0 C--O 1.243 0.673 0 C-N-CA 121.129 -0.558 . . . . 0.0 112.194 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.14 -51.8 54.48 Favored 'General case' 0 C--O 1.244 0.778 0 CA-C-O 121.369 0.604 . . . . 0.0 109.807 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.612 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 34.0 tp -58.86 -42.94 90.57 Favored 'General case' 0 C--O 1.219 -0.53 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.158 179.545 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.481 ' CD ' ' HZ3' ' A' ' 78' ' ' LYS . 5.9 mm-40 -53.99 -52.29 61.19 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 120.812 0.339 . . . . 0.0 111.475 179.501 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 -58.74 -38.29 78.06 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -73.51 -56.12 5.45 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.331 -179.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 2.9 pp -61.67 -28.07 69.13 Favored 'General case' 0 C--O 1.214 -0.768 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -178.314 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.6 ' N ' HD13 ' A' ' 77' ' ' LEU . 11.2 mptt -64.75 -43.84 92.01 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 121.398 0.618 . . . . 0.0 110.694 -177.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 80.2 mtm180 . . . . . 0 C--N 1.324 -0.541 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.424 -179.679 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.8 tt . . . . . 0 C--O 1.236 0.349 0 N-CA-C 109.919 -0.401 . . . . 0.0 109.919 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.59 -39.5 73.64 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.015 178.565 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -57.71 -46.85 83.82 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.541 0.686 . . . . 0.0 110.266 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -61.93 -42.67 99.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.963 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -63.43 -43.54 97.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.95 178.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.56 ' CD1' HD11 ' A' ' 19' ' ' ILE . 3.4 m-85 -55.06 -55.53 30.02 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.919 175.65 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.02 -42.1 79.78 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.574 -179.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -65.57 -48.3 72.85 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.256 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.9 -40.81 90.05 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.144 0.497 . . . . 0.0 110.892 178.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -61.34 -43.26 99.18 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.566 178.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.445 ' O ' HG13 ' A' ' 99' ' ' ILE . 79.9 m -58.42 -47.15 84.87 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.182 177.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 92.7 mt -69.84 -42.1 74.06 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -177.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.3 p -60.77 -41.94 96.47 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.381 0.61 . . . . 0.0 111.01 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -59.48 -45.44 91.66 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.717 178.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 95' ' ' THR . 79.1 mt -60.36 -43.18 93.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.716 178.121 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 67.9 tp -59.65 -50.89 72.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.588 -179.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.427 ' O ' ' HG2' ' A' ' 105' ' ' LYS . 4.4 mm? -58.99 -44.06 91.53 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.656 -178.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -59.18 -47.03 86.82 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.709 178.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -59.42 -38.54 80.9 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 110.455 -0.202 . . . . 0.0 110.455 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 95.0 mt -63.44 -53.68 48.44 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.908 0.385 . . . . 0.0 110.771 179.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.478 ' O ' ' HB3' ' A' ' 108' ' ' GLU . 1.0 OUTLIER -62.62 -32.74 73.81 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.855 -178.063 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -65.55 -38.38 89.44 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 176.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.544 ' O ' HG21 ' A' ' 111' ' ' VAL . 57.1 m -63.13 -45.3 92.61 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.229 178.347 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.478 ' HB3' ' O ' ' A' ' 105' ' ' LYS . 18.7 tt0 -49.74 -51.98 34.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.525 175.569 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 105' ' ' LYS . 62.8 mt-30 -59.26 -39.29 82.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 178.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.452 ' O ' ' HB3' ' A' ' 113' ' ' ASP . 3.2 tppp? -68.56 -39.03 81.21 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.124 0.488 . . . . 0.0 111.688 -178.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.544 HG21 ' O ' ' A' ' 107' ' ' THR . 97.8 t -60.53 -43.3 94.13 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.395 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 177.097 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -71.87 -21.31 61.68 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.598 177.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.452 ' HB3' ' O ' ' A' ' 110' ' ' LYS . 23.3 t70 -68.5 -35.75 77.95 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.958 -179.182 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.445 HD11 ' OD1' ' A' ' 44' ' ' ASN . 1.7 mp -70.77 122.49 22.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.072 0.463 . . . . 0.0 110.454 178.73 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -78.91 122.75 26.51 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.742 177.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 65.9 p -115.96 -173.64 2.39 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.765 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.479 ' HB2' ' HD2' ' A' ' 49' ' ' LYS . 52.1 mt-30 . . . . . 0 C--O 1.241 0.611 0 CA-C-O 118.688 -0.672 . . . . 0.0 110.321 178.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.2 mp . . . . . 0 C--O 1.243 0.733 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.568 HD11 ' CD1' ' A' ' 90' ' ' TYR . 28.3 mm -67.8 -33.84 64.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.066 -179.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -61.3 -38.4 86.67 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 120.878 0.37 . . . . 0.0 110.454 178.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -71.27 -30.37 66.21 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 121.148 0.499 . . . . 0.0 111.01 179.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.61 -45.33 38.1 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 121.707 0.765 . . . . 0.0 109.469 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -62.76 -38.1 89.25 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-N 114.464 -1.243 . . . . 0.0 110.402 178.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -66.95 -44.37 80.73 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.436 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.29 -44.92 96.42 Favored 'General case' 0 C--N 1.334 -0.082 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.8 pt -67.86 -31.54 52.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.62 -178.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -67.44 -45.95 74.54 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 176.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -65.37 -44.83 86.36 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.269 -179.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.2 -40.93 94.49 Favored Glycine 0 C--O 1.221 -0.669 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.917 178.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -62.48 -40.47 96.79 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.276 0.56 . . . . 0.0 110.365 179.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.34 -51.16 64.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.107 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.33 -29.17 65.81 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.432 -178.326 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -68.05 -50.64 53.97 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 179.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 pp -66.7 -30.1 70.26 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.345 0.593 . . . . 0.0 110.137 -179.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -68.99 -56.93 6.29 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.504 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.3 tt -63.63 -33.6 75.97 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.745 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -59.98 -38.31 82.2 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 178.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -65.86 -43.94 86.91 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.483 176.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -56.94 -46.42 82.08 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.496 176.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -52.92 -46.13 67.94 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.831 177.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -58.31 -41.46 84.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.247 0.546 . . . . 0.0 109.908 178.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -66.16 -37.43 85.63 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.865 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.1 tp -65.5 -31.48 72.57 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-O 120.61 0.243 . . . . 0.0 110.491 179.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -59.1 -36.2 74.72 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 121.231 0.539 . . . . 0.0 110.6 178.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -89.73 -39.96 12.82 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.571 179.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -75.34 -36.41 61.04 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -174.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp 55.86 18.96 3.25 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 -178.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.5 t -69.38 126.13 28.82 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 179.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.512 ' HD3' ' HB2' ' A' ' 117' ' ' GLN . 12.5 pttt -59.68 -42.38 92.78 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.209 175.685 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -60.18 -46.34 90.03 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.651 178.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.9 tp -62.73 -39.42 94.03 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.183 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -60.17 -48.5 81.46 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.598 177.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.555 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 39.4 mm-40 -58.42 -47.86 82.55 Favored 'General case' 0 C--O 1.224 -0.245 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.709 -178.656 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -63.4 -41.13 98.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.049 -179.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 70.4 mt -64.04 -53.11 47.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.333 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 14.1 tt -66.29 -34.88 73.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.361 -178.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.555 ' HB2' ' O ' ' A' ' 53' ' ' GLU . 2.3 mpt_? -65.57 -44.81 85.55 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 120.63 0.252 . . . . 0.0 110.348 179.083 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -70.33 -37.48 74.71 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.683 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.7 tt -62.83 -41.87 99.5 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -59.89 -48.75 80.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.327 178.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.448 HG22 ' O ' ' A' ' 57' ' ' ARG . 78.6 t -60.52 -47.26 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-O 120.963 0.411 . . . . 0.0 110.91 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 86.0 t -64.6 -40.78 90.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.412 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 42.7 t -62.98 -42.69 99.91 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.84 -49.32 68.58 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 122.554 0.342 . . . . 0.0 111.528 -179.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 21.4 ptp -62.12 -36.07 80.64 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.511 -0.475 . . . . 0.0 110.24 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.4 mp -67.23 -42.87 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.659 177.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -62.69 -42.99 99.92 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.779 0.323 . . . . 0.0 110.957 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.02 -47.4 74.14 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.977 -0.63 . . . . 0.0 113.117 -178.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.94 -42.6 80.74 Favored 'General case' 0 N--CA 1.451 -0.423 0 O-C-N 123.092 -0.064 . . . . 0.0 110.978 -178.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -63.04 -38.95 93.22 Favored 'General case' 0 C--O 1.221 -0.399 0 C-N-CA 120.524 -0.471 . . . . 0.0 110.695 -178.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -70.17 -45.27 56.78 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.402 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.98 -54.91 20.2 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-O 120.939 0.399 . . . . 0.0 110.633 -177.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.653 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 47.9 tp -54.89 -45.42 74.68 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.453 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.658 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 6.5 mm-40 -55.12 -53.66 53.13 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-O 120.654 0.264 . . . . 0.0 111.593 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 75' ' ' ARG . 55.7 mtt180 -57.45 -42.2 82.04 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -177.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -73.1 -52.15 15.36 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.84 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.653 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 2.9 pp -59.03 -21.79 59.66 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -179.562 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.658 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 59.2 mmtt -66.53 -15.84 63.69 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 120.687 0.28 . . . . 0.0 111.389 -178.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? . . . . . 0 C--O 1.234 0.241 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.254 179.373 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 54.8 tp . . . . . 0 N--CA 1.452 -0.367 0 CA-C-O 120.513 0.197 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -57.02 -44.19 82.6 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.646 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -61.01 -42.52 98.62 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.183 0.516 . . . . 0.0 110.286 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -62.45 -50.1 72.82 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.781 178.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -60.78 -51.72 68.11 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.029 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.568 ' CD1' HD11 ' A' ' 19' ' ' ILE . 3.3 m-30 -55.19 -53.28 58.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.645 -179.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -56.29 -46.69 79.67 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.135 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -67.28 -38.01 84.37 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.425 -177.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.79 -48.9 75.02 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 121.193 0.521 . . . . 0.0 109.853 178.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -59.91 -38.45 82.36 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.111 178.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.483 ' O ' HG13 ' A' ' 99' ' ' ILE . 99.3 m -61.89 -49.05 77.74 Favored 'General case' 0 C--O 1.245 0.85 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.101 177.426 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 89.7 mt -70.03 -35.47 74.33 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.726 0.298 . . . . 0.0 110.71 -178.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.406 ' O ' HD21 ' A' ' 101' ' ' LEU . 22.9 t -57.73 -47.43 82.44 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.195 179.092 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.589 ' O ' ' HG3' ' A' ' 102' ' ' LYS . 51.1 mttp -64.11 -34.62 78.47 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.071 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 95' ' ' THR . 84.5 mt -63.41 -45.62 97.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-O 121.06 0.457 . . . . 0.0 110.257 179.265 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -60.52 -46.01 91.72 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.449 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.406 HD21 ' O ' ' A' ' 97' ' ' SER . 4.3 mm? -61.14 -41.68 97.18 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.674 -179.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.589 ' HG3' ' O ' ' A' ' 98' ' ' LYS . 9.3 mtmp? -61.04 -46.28 91.34 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.699 -0.401 . . . . 0.0 110.322 178.4 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.45 -36.49 82.6 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.776 178.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 37.3 tp -64.54 -46.68 81.8 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 121.228 0.537 . . . . 0.0 110.413 178.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.464 ' HB3' ' HZ1' ' A' ' 105' ' ' LYS . 2.7 mmmp? -61.86 -26.27 68.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 177.376 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.541 ' O ' ' HG2' ' A' ' 110' ' ' LYS . 10.0 tp10 -66.7 -42.72 85.99 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 175.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 8.2 p -68.37 -40.63 81.36 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.582 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -52.33 -47.41 66.04 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.338 0.59 . . . . 0.0 110.552 174.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.419 ' HA ' ' HE3' ' A' ' 112' ' ' LYS . 29.9 tt0 -61.35 -40.07 92.93 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.931 178.446 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.541 ' HG2' ' O ' ' A' ' 106' ' ' GLU . 74.9 mmtt -64.54 -48.78 73.8 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.966 0.413 . . . . 0.0 111.898 -179.062 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.6 p -62.52 -40.82 89.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.276 -178.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.419 ' HE3' ' HA ' ' A' ' 109' ' ' GLN . 16.4 pttp -73.56 -15.22 61.29 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 120.971 0.415 . . . . 0.0 110.93 177.658 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -79.88 -31.22 40.31 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.815 179.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.7 mp -74.49 115.37 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-O 121.131 0.491 . . . . 0.0 110.658 178.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -73.91 123.88 25.1 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.61 177.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 24.9 p -114.65 -173.65 2.34 Favored 'General case' 0 C--N 1.305 -1.348 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.208 178.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.512 ' HB2' ' HD3' ' A' ' 49' ' ' LYS . 76.5 mt-30 . . . . . 0 C--O 1.244 0.811 0 CA-C-O 118.384 -0.817 . . . . 0.0 110.417 -178.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 . . . . . 0 N--CA 1.475 0.804 0 CA-C-O 120.93 0.395 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -119.2 121.4 39.61 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.386 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -86.54 102.8 14.45 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.061 -178.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -63.47 144.42 97.67 Favored Pre-proline 0 C--N 1.318 -0.786 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.837 175.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -77.77 -158.14 0.08 OUTLIER 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 122.998 2.465 . . . . 0.0 113.012 -178.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -87.01 109.63 19.52 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -55.79 -37.91 69.23 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -176.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -104.47 109.78 21.79 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 120.742 0.305 . . . . 0.0 110.577 -178.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -74.33 -38.46 63.26 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.101 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -86.06 50.42 1.98 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.78 0.8 . . . . 0.0 110.019 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -103.82 134.52 46.98 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -82.96 156.37 23.5 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.995 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.678 ' OE1' ' HA ' ' A' ' 16' ' ' HIS . 27.1 tt0 -62.19 128.43 36.05 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.095 179.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -87.01 -53.11 5.06 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.579 0.228 . . . . 0.0 111.336 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -63.33 -57.27 10.91 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.169 -178.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.678 ' HA ' ' OE1' ' A' ' 13' ' ' GLU . 13.0 t60 57.09 40.85 28.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.658 178.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.511 HD22 ' N ' ' A' ' 18' ' ' LEU . 8.8 tt -100.75 151.23 21.93 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 107.745 -1.205 . . . . 0.0 107.745 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.511 ' N ' HD22 ' A' ' 17' ' ' LEU . 86.2 mt -42.9 -62.73 0.94 Allowed 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -178.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.572 HD12 ' CD1' ' A' ' 90' ' ' TYR . 35.3 mm -69.54 -29.32 41.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.551 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.673 ' HA ' ' ND2' ' A' ' 23' ' ' ASN . 11.2 mm-40 -65.57 -40.42 92.74 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.083 178.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.87 -48.59 76.08 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 178.122 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.41 ' O ' HG12 ' A' ' 26' ' ' ILE . . . -53.34 -48.77 68.22 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.539 178.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.673 ' ND2' ' HA ' ' A' ' 20' ' ' GLU . 10.9 p30 -71.98 -26.01 62.08 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 120.002 -0.679 . . . . 0.0 110.785 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -70.76 -51.6 26.12 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.837 178.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.23 -46.59 88.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.202 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.456 HG12 ' HA ' ' A' ' 23' ' ' ASN . 34.4 pt -66.33 -33.09 61.21 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.457 0 C-N-CA 120.416 -0.514 . . . . 0.0 111.756 -178.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -63.05 -44.48 95.74 Favored 'General case' 0 C--O 1.24 0.59 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 176.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -66.99 -46.02 75.85 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.379 178.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.56 -44.3 97.92 Favored Glycine 0 C--O 1.219 -0.829 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.731 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -58.87 -45.99 88.88 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.183 0.516 . . . . 0.0 110.506 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 -64.52 -42.78 95.56 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.381 -178.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.64 -33.43 62.55 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.096 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.401 HD23 HD21 ' A' ' 104' ' ' LEU . 2.3 tm? -64.67 -49.24 71.74 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 178.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 pp -65.88 -31.38 72.29 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.152 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -65.67 -55.61 16.55 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.501 179.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -66.38 -32.43 73.81 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.373 -178.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -64.96 -39.75 93.96 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 120.986 0.422 . . . . 0.0 110.376 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -66.66 -31.46 72.15 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 121.668 0.747 . . . . 0.0 109.389 174.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -70.15 -36.04 74.47 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.94 177.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.46 ' O ' HD12 ' A' ' 40' ' ' LEU . 1.4 tm? -53.25 -45.83 68.93 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 173.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -59.42 -41.2 88.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.238 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -68.6 -45.67 71.33 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.498 0.666 . . . . 0.0 110.02 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.9 tp -57.14 -40.55 77.42 Favored 'General case' 0 C--O 1.213 -0.822 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.886 177.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.539 ' O ' ' HE2' ' A' ' 47' ' ' LYS . 5.9 t-20 -61.63 -28.15 69.17 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-O 121.431 0.634 . . . . 0.0 110.418 -179.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -82.76 -45.19 14.69 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.911 177.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -75.68 -33.68 60.4 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.989 -0.55 . . . . 0.0 112.03 -176.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.539 ' HE2' ' O ' ' A' ' 44' ' ' ASN . 72.8 mmtt 57.13 19.57 4.89 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.211 -176.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 41.5 t -68.48 126.71 30.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.896 -176.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.538 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -63.53 -44.81 93.14 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.795 179.142 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -66.93 -36.78 83.0 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 121.057 -0.257 . . . . 0.0 111.087 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 50.8 tp -67.55 -39.45 84.98 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -59.04 -44.74 91.81 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.994 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -63.72 -45.55 89.44 Favored 'General case' 0 N--CA 1.432 -1.343 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.617 -178.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -61.74 -46.88 87.71 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.956 0.408 . . . . 0.0 110.342 178.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 68.4 mt -60.24 -49.11 85.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.714 -178.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 14.9 tt -68.31 -31.92 53.48 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.971 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -68.57 -44.66 73.95 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.297 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -71.1 -33.61 70.34 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.349 178.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.2 tt -63.17 -47.06 84.25 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 177.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -59.57 -53.53 57.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.785 -1.098 . . . . 0.0 112.469 -178.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 32.7 m -62.22 -39.44 84.03 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -176.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 84.1 t -73.79 -37.5 48.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.724 0.297 . . . . 0.0 110.485 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 46.1 t -62.61 -41.27 98.9 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.177 0.513 . . . . 0.0 109.785 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.29 -50.48 63.54 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.908 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.1 ptp -62.72 -39.06 92.87 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.588 -178.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.415 ' O ' ' HB2' ' A' ' 70' ' ' GLN . 1.4 mp -64.44 -43.0 96.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.23 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -69.4 -37.65 77.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.838 0.351 . . . . 0.0 111.513 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.32 -45.91 88.87 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.644 -0.789 . . . . 0.0 111.902 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.39 -37.13 74.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.571 -0.315 . . . . 0.0 110.194 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.455 ' OE1' ' HB2' ' A' ' 97' ' ' SER . 4.0 tt0 -63.09 -47.72 81.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.98 0.419 . . . . 0.0 110.214 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.34 -39.16 97.49 Favored Glycine 0 C--O 1.245 0.838 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.541 -177.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.51 -53.16 38.0 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 114.825 -0.687 . . . . 0.0 109.372 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.506 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 43.9 tp -55.55 -49.62 72.21 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.716 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 49.6 mt-10 -54.33 -50.22 67.9 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.063 0.458 . . . . 0.0 111.098 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -58.49 -43.4 89.01 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.707 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -70.02 -54.6 12.45 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.854 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 3.6 pp -56.0 -20.25 15.82 Favored 'General case' 0 C--O 1.222 -0.376 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.008 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 28.6 mmtm -67.72 -14.31 62.84 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -71.61 -16.26 62.28 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.101 0.477 . . . . 0.0 110.311 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.3 m -84.48 141.26 30.9 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.924 179.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.433 ' CG ' ' H ' ' A' ' 82' ' ' LEU . 5.1 t70 -157.73 -174.65 4.96 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.16 -179.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.433 ' H ' ' CG ' ' A' ' 81' ' ' ASP . 0.2 OUTLIER 51.48 73.12 0.33 Allowed 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.054 0.846 . . . . 0.0 111.405 -178.159 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 178.56 105.13 0.02 OUTLIER 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.005 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 68.8 mt -58.22 -31.99 43.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.734 -0.667 . . . . 0.0 112.009 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 59.8 tp -72.66 -50.03 27.71 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 120.892 0.377 . . . . 0.0 110.036 -178.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -59.58 -37.11 77.63 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.472 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -56.95 -51.7 68.13 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.117 0.484 . . . . 0.0 110.168 176.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -59.38 -45.64 90.88 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.476 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -65.08 -47.31 77.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.382 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.572 ' CD1' HD12 ' A' ' 19' ' ' ILE . 4.4 m-30 -54.88 -52.72 61.97 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.041 0.448 . . . . 0.0 111.021 177.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -57.71 -36.95 72.69 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.175 178.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -69.64 -40.98 76.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.677 -179.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.99 -42.25 97.25 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.655 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -61.18 -38.16 85.52 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.841 177.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.461 ' O ' HG13 ' A' ' 99' ' ' ILE . 93.2 m -61.89 -50.54 71.81 Favored 'General case' 0 N--CA 1.436 -1.155 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.423 178.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 89.2 mt -71.78 -37.84 70.4 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.712 -176.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.455 ' HB2' ' OE1' ' A' ' 70' ' ' GLN . 16.3 p -61.91 -44.19 97.3 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 121.053 0.454 . . . . 0.0 110.715 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -59.67 -42.49 92.99 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.358 178.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 95' ' ' THR . 82.2 mt -62.26 -45.12 99.49 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 CA-C-O 121.343 0.592 . . . . 0.0 110.243 178.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.407 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 0.8 OUTLIER -58.81 -51.02 71.79 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.454 179.65 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 92.1 mt -59.61 -40.96 89.26 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.57 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -55.86 -52.71 63.11 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 176.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.3 -33.61 72.61 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 112.308 0.485 . . . . 0.0 112.308 -178.126 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 100' ' ' LEU . 91.7 mt -61.51 -55.11 34.67 Favored 'General case' 0 CA--C 1.519 -0.238 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.399 177.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.452 ' O ' ' HB3' ' A' ' 108' ' ' GLU . 25.6 mtpp -68.56 -22.27 64.49 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.678 -178.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -71.38 -43.98 65.83 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 177.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 22.9 m -67.55 -39.38 84.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.185 -0.916 . . . . 0.0 108.573 176.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.452 ' HB3' ' O ' ' A' ' 105' ' ' LYS . 25.3 tt0 -51.47 -50.65 59.4 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.694 173.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.526 ' HA ' ' HD3' ' A' ' 112' ' ' LYS . 41.5 tt0 -54.06 -39.84 66.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.368 177.27 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -68.51 -48.4 64.48 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 13.9 p -62.82 -40.49 88.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.961 -178.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.526 ' HD3' ' HA ' ' A' ' 109' ' ' GLN . 14.5 ptmm? -70.99 -23.08 62.12 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.549 177.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -79.99 -25.77 40.17 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -178.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -73.54 122.8 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 178.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -79.48 123.35 27.47 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.305 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 64.6 p -116.04 178.28 4.37 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.273 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.652 -178.447 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.473 0.703 0 CA-C-O 120.687 0.279 . . . . 0.0 110.367 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -127.84 118.02 22.91 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-O 120.862 0.363 . . . . 0.0 110.964 -178.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -125.18 30.66 5.78 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.311 0.577 . . . . 0.0 109.847 178.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.447 ' HZ3' ' HB3' ' A' ' 4' ' ' LYS . 6.7 mtpm? -86.85 139.9 33.04 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.35 -176.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -68.95 -29.09 28.39 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.522 2.148 . . . . 0.0 109.864 173.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.416 ' HE3' ' HB2' ' A' ' 6' ' ' LYS . 39.3 mtmt -106.78 136.63 46.28 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 177.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -62.92 -53.43 54.21 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 120.787 0.327 . . . . 0.0 110.435 -178.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.54 137.85 32.3 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-O 121.063 0.459 . . . . 0.0 110.454 179.099 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -101.15 18.69 19.17 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-O 121.337 0.589 . . . . 0.0 109.828 176.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -86.66 -30.4 21.77 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.997 -177.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.1 ttt180 -71.18 92.41 0.99 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -124.84 7.37 8.08 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.287 0.565 . . . . 0.0 110.605 -178.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -105.16 147.8 27.58 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.84 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -69.52 83.22 0.41 Allowed 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 121.358 0.599 . . . . 0.0 110.05 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -72.8 -37.14 67.64 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.17 -0.923 . . . . 0.0 112.602 -177.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.401 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 22.0 t60 -85.81 80.25 9.0 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 119.843 -0.743 . . . . 0.0 112.188 -177.113 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.426 HD21 ' HB2' ' A' ' 20' ' ' GLU . 20.2 tp 177.13 98.01 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.187 0.995 . . . . 0.0 108.732 173.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.457 HD13 ' HA ' ' A' ' 77' ' ' LEU . 69.4 mt -49.62 -48.76 48.88 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.194 -0.912 . . . . 0.0 112.688 -176.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.562 HD13 ' CD1' ' A' ' 90' ' ' TYR . 24.1 mm -64.05 -37.08 78.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 C-N-CA 121.071 -0.252 . . . . 0.0 111.305 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.426 ' HB2' HD21 ' A' ' 17' ' ' LEU . 12.1 tp10 -61.2 -46.12 91.76 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.071 0.463 . . . . 0.0 109.807 178.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -62.66 -31.39 72.26 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.356 178.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.79 -39.78 56.3 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.398 0.618 . . . . 0.0 110.187 178.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -65.14 -38.11 89.57 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 115.023 -0.989 . . . . 0.0 110.164 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -64.25 -48.34 76.16 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.052 177.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.85 -50.47 73.65 Favored 'General case' 0 CA--C 1.528 0.097 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 179.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 41.4 pt -64.77 -31.29 53.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.339 -178.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -62.98 -51.74 65.69 Favored 'General case' 0 C--O 1.246 0.897 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 176.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -61.69 -46.05 91.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.03 178.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.461 ' O ' ' HG3' ' A' ' 32' ' ' GLN . . . -59.36 -42.17 97.31 Favored Glycine 0 N--CA 1.447 -0.604 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.714 -179.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.505 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 11.4 tp10 -56.88 -55.88 28.77 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 123.263 0.625 . . . . 0.0 111.038 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -62.9 -41.93 99.61 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.035 -176.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 5.1 pp0? -69.99 -31.46 69.16 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 116.715 -0.22 . . . . 0.0 111.034 -178.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.526 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 1.4 tm? -67.27 -45.12 77.58 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 30' ' ' GLU . 62.0 mt -63.02 -31.44 72.58 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 178.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -64.78 -52.15 58.43 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.562 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.7 mt -61.74 -33.31 73.83 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.528 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.526 ' HG3' ' O ' ' A' ' 33' ' ' LEU . 91.7 mt-30 -58.39 -39.5 79.83 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.042 0.449 . . . . 0.0 110.191 178.132 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.474 ' HD2' ' O ' ' A' ' 34' ' ' LEU . 35.5 m-70 -67.33 -36.89 82.37 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.743 178.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -66.46 -42.76 87.08 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.148 178.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -50.92 -46.73 60.86 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.487 175.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -58.09 -45.33 87.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.864 178.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -64.73 -42.15 95.43 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 121.33 0.586 . . . . 0.0 110.19 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.412 ' CD2' HG11 ' A' ' 111' ' ' VAL . 49.5 tp -55.58 -37.58 68.27 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.909 178.075 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -59.54 -38.22 80.47 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.701 0.286 . . . . 0.0 111.451 177.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -81.15 -47.78 13.01 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -179.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -77.13 -34.3 56.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.759 0.314 . . . . 0.0 111.352 -175.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.505 ' HZ2' ' HB2' ' A' ' 47' ' ' LYS . 0.0 OUTLIER 58.81 24.6 12.54 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.214 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.1 t -69.85 123.33 21.19 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.188 -177.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.457 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -60.18 -39.95 88.3 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 121.086 0.469 . . . . 0.0 110.399 176.421 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -63.98 -44.2 93.43 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.199 179.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.47 ' O ' HG13 ' A' ' 55' ' ' ILE . 54.8 tp -63.25 -42.3 99.17 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.181 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -56.87 -49.14 76.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.82 -42.38 99.7 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.72 -178.354 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.41 ' HA ' ' HE2' ' A' ' 54' ' ' LYS . 6.9 mmpt? -62.99 -44.02 97.19 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.964 0.411 . . . . 0.0 110.123 178.081 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 51' ' ' LEU . 83.8 mt -61.14 -48.94 86.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.595 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 75.1 mt -62.93 -40.65 89.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.454 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -68.32 -41.53 80.7 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -177.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.409 ' O ' HG12 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -73.86 -34.55 64.54 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.189 -0.605 . . . . 0.0 110.87 178.107 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.478 HD23 ' SG ' ' A' ' 63' ' ' CYS . 5.6 tt -61.93 -44.88 95.86 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 178.328 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -62.18 -48.39 80.24 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.337 -0.847 . . . . 0.0 112.164 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.409 HG12 ' O ' ' A' ' 58' ' ' GLU . 11.5 p -62.36 -36.06 72.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 CA-C-O 120.836 0.35 . . . . 0.0 111.372 -176.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.402 HG11 ' CD ' ' A' ' 32' ' ' GLN . 98.8 t -73.24 -38.51 54.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.14 178.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.478 ' SG ' HD23 ' A' ' 59' ' ' LEU . 90.1 m -62.78 -41.27 99.17 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-O 120.842 0.353 . . . . 0.0 110.359 179.069 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.96 -45.06 83.15 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.345 -178.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 21.8 ptp -68.52 -35.1 77.0 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.351 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.4 mp -69.3 -45.34 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 178.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.475 ' HA ' ' HG2' ' A' ' 70' ' ' GLN . 47.0 mt-10 -66.17 -35.15 79.72 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 121.077 0.465 . . . . 0.0 110.618 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -69.04 -45.87 60.99 Favored Glycine 0 N--CA 1.446 -0.642 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.513 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.1 -42.03 73.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.993 -0.103 . . . . 0.0 110.985 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.475 ' HG2' ' HA ' ' A' ' 67' ' ' GLU . 13.5 pt20 -62.99 -38.91 93.07 Favored 'General case' 0 C--O 1.216 -0.679 0 C-N-CA 120.467 -0.493 . . . . 0.0 109.843 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -64.5 -40.75 97.92 Favored Glycine 0 C--N 1.336 0.531 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.65 -52.35 52.37 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 179.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.587 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 61.2 mt -54.81 -51.35 66.1 Favored 'General case' 0 CA--C 1.504 -0.807 0 CA-C-N 115.149 -0.932 . . . . 0.0 112.031 178.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 44.0 mt-10 -53.72 -52.36 60.36 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 123.426 0.454 . . . . 0.0 111.482 -176.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 60.7 mtt85 -59.18 -39.94 84.11 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.123 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -70.83 -55.42 8.56 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 3.8 pp -57.7 -21.13 38.77 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -179.179 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.421 ' HA ' ' HD3' ' A' ' 78' ' ' LYS . 51.9 mmtt -68.21 -15.37 63.55 Favored 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 179.082 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 21.8 mmt85 -76.1 -19.6 58.41 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.542 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.1 m -78.74 139.22 38.47 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.749 -178.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -55.77 138.41 47.89 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 176.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.416 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 0.7 OUTLIER -74.87 72.88 2.1 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 122.151 0.977 . . . . 0.0 111.834 -179.218 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -73.77 169.02 18.22 Favored 'General case' 0 N--CA 1.432 -1.365 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.339 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 58.4 mt -54.54 -55.35 15.64 Favored 'Isoleucine or valine' 0 C--O 1.242 0.674 0 CA-C-O 120.8 0.334 . . . . 0.0 111.345 -177.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.8 tt -71.83 -43.48 65.48 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 -178.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -54.02 -55.88 23.12 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.211 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -58.74 -46.96 86.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.849 0.357 . . . . 0.0 111.412 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -61.73 -44.31 97.17 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.53 -178.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -68.7 -48.16 64.57 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.714 -178.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.562 ' CD1' HD13 ' A' ' 19' ' ' ILE . 4.2 m-30 -54.13 -53.82 47.98 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.739 178.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -57.58 -35.98 71.09 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.515 178.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -71.5 -46.45 59.69 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.476 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.24 -41.0 99.02 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.206 0.527 . . . . 0.0 109.664 -179.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -63.67 -38.53 91.46 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.933 178.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.598 ' O ' HD13 ' A' ' 99' ' ' ILE . 54.6 m -59.7 -47.49 85.42 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.342 176.13 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.461 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 84.9 mt -67.96 -40.67 83.15 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.568 -178.04 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 60.4 p -59.67 -48.7 80.62 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 120.75 0.309 . . . . 0.0 111.318 -178.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.44 ' O ' ' HG3' ' A' ' 102' ' ' LYS . 99.7 mttt -61.94 -38.16 87.42 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.062 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.598 HD13 ' O ' ' A' ' 95' ' ' THR . 1.6 mp -63.24 -41.59 93.35 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-O 120.828 0.346 . . . . 0.0 110.162 177.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 96' ' ' LEU . 96.6 mt -60.66 -49.52 77.2 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.554 178.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.444 ' O ' ' HD2' ' A' ' 105' ' ' LYS . 4.3 mm? -57.4 -43.11 83.45 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.128 179.145 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 98' ' ' LYS . 49.3 mtmt -59.67 -43.32 94.03 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 121.166 -0.213 . . . . 0.0 110.946 177.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -68.61 -35.74 77.73 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.379 -0.528 . . . . 0.0 110.913 -178.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.465 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 4.2 mm? -63.48 -46.31 86.73 Favored 'General case' 0 C--N 1.345 0.4 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.005 175.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.444 ' HD2' ' O ' ' A' ' 101' ' ' LEU . 0.3 OUTLIER -57.32 -35.48 69.92 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.774 177.038 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 110' ' ' LYS . 33.1 tt0 -70.62 -43.78 68.58 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.766 178.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.447 ' O ' HG21 ' A' ' 111' ' ' VAL . 0.7 OUTLIER -63.7 -53.95 43.16 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 121.053 -0.259 . . . . 0.0 111.422 -178.703 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.635 ' O ' ' HG2' ' A' ' 112' ' ' LYS . 9.3 pt-20 -51.52 -48.64 62.89 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 123.096 0.248 . . . . 0.0 110.93 178.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.401 ' N ' ' HG3' ' A' ' 108' ' ' GLU . 34.1 tt0 -56.21 -44.63 79.69 Favored 'General case' 0 C--O 1.223 -0.331 0 C-N-CA 123.162 0.585 . . . . 0.0 111.336 178.176 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 106' ' ' GLU . 52.9 mtmt -66.42 -40.89 89.81 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-O 121.239 0.543 . . . . 0.0 111.086 178.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.447 HG21 ' O ' ' A' ' 107' ' ' THR . 78.5 t -58.49 -50.55 78.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.357 177.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.635 ' HG2' ' O ' ' A' ' 108' ' ' GLU . 14.3 ptmt -74.61 -13.91 60.71 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.274 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -73.59 -29.37 62.36 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.983 177.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.4 mp -71.06 121.0 20.04 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 176.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -75.76 125.15 28.52 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.003 0.43 . . . . 0.0 110.628 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.436 HG21 ' O ' ' A' ' 47' ' ' LYS . 25.2 p -117.25 -173.73 2.47 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.871 178.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.455 ' OXT' ' HD2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.796 0 CA-C-O 118.612 -0.709 . . . . 0.0 110.338 -178.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.472 0.661 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.469 ' HB3' ' O ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -96.7 154.07 17.5 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 177.805 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.552 ' CD2' ' HG3' ' A' ' 4' ' ' LYS . 28.4 p-80 -71.44 -42.05 68.69 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 178.138 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.552 ' HG3' ' CD2' ' A' ' 3' ' ' HIS . 47.7 mtpt -103.65 156.77 35.11 Favored Pre-proline 0 C--N 1.315 -0.907 0 CA-C-N 115.773 -0.648 . . . . 0.0 109.718 176.061 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.58 52.79 0.96 Allowed 'Trans proline' 0 CA--C 1.541 0.856 0 C-N-CA 122.747 2.298 . . . . 0.0 112.881 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt 61.99 -173.65 0.14 Allowed 'General case' 0 C--O 1.235 0.335 0 C-N-CA 122.95 0.5 . . . . 0.0 111.307 -176.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.453 ' HE3' ' OD1' ' A' ' 23' ' ' ASN . 58.9 tttm -72.25 -59.63 2.64 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.957 0.408 . . . . 0.0 110.629 179.069 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -169.79 -126.73 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -111.9 -7.21 14.18 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -136.35 150.84 49.03 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.179 -176.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.2 tpp180 59.96 59.99 2.27 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.854 0.721 . . . . 0.0 110.639 -178.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -163.86 102.54 0.89 Allowed 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 178.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.437 ' HG3' ' CD2' ' A' ' 14' ' ' PHE . 13.8 pt-20 -118.93 -28.88 5.44 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -174.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.437 ' CD2' ' HG3' ' A' ' 13' ' ' GLU . 93.4 m-85 -117.56 -155.37 0.59 Allowed 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 176.405 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -64.05 -54.19 37.99 Favored 'General case' 0 CA--C 1.501 -0.921 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 174.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.713 ' HA ' ' OE1' ' A' ' 20' ' ' GLU . 2.0 m-70 -177.14 129.35 0.16 Allowed 'General case' 0 CA--C 1.509 -0.619 0 C-N-CA 124.776 1.23 . . . . 0.0 109.782 175.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 98.3 mt -104.14 171.45 7.34 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 176.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -62.59 -45.48 92.7 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.311 0.577 . . . . 0.0 109.632 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.416 HG22 HD12 ' A' ' 19' ' ' ILE . 20.3 mm -67.59 -34.97 71.48 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.563 179.284 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.713 ' OE1' ' HA ' ' A' ' 16' ' ' HIS . 87.0 mt-10 -57.34 -41.97 81.07 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.915 0.388 . . . . 0.0 110.447 177.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -67.2 -52.75 37.36 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.182 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.428 ' O ' HG12 ' A' ' 26' ' ' ILE . . . -56.62 -47.9 78.67 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.525 178.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.453 ' OD1' ' HE3' ' A' ' 7' ' ' LYS . 23.7 t-20 -56.93 -42.29 79.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.563 -179.278 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -71.21 -40.19 71.28 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.953 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.22 -45.51 80.44 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.428 HG12 ' O ' ' A' ' 22' ' ' ALA . 34.5 pt -66.93 -33.93 66.62 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.157 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.764 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -63.83 -45.67 88.52 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 176.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -66.36 -42.23 88.36 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.691 178.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.461 ' O ' ' HG3' ' A' ' 32' ' ' GLN . . . -60.62 -45.37 96.47 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 116.221 -0.445 . . . . 0.0 112.19 178.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.477 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 45.8 tt0 -57.11 -47.99 79.74 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.09 0.471 . . . . 0.0 110.674 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -66.47 -40.74 89.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.655 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -71.93 -28.14 63.27 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.941 -179.659 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -67.03 -42.91 84.08 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 175.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 30' ' ' GLU . 89.2 mt -65.06 -31.12 72.18 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.412 178.097 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -69.58 -55.24 10.68 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.786 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.445 HD13 ' OE1' ' A' ' 39' ' ' GLN . 3.8 mm? -59.94 -34.92 73.9 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.036 0.446 . . . . 0.0 110.803 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -59.78 -34.39 72.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.982 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -69.34 -43.3 73.93 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.107 177.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.445 ' OE1' HD13 ' A' ' 36' ' ' LEU . 90.9 mt-30 -58.01 -45.0 87.56 Favored 'General case' 0 CA--C 1.522 -0.102 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.854 177.146 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.7 tp -52.36 -49.02 65.19 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.072 176.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -58.14 -38.8 77.27 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 121.299 0.571 . . . . 0.0 110.476 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.421 ' HB3' ' O ' ' A' ' 39' ' ' GLN . 9.1 tp10 -64.15 -44.16 92.98 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.471 179.096 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.8 tp -63.83 -34.03 77.01 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.928 -177.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.439 ' O ' ' HE3' ' A' ' 47' ' ' LYS . 72.9 m-20 -58.89 -33.76 70.88 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.123 0.487 . . . . 0.0 110.89 -178.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -86.26 -44.03 12.47 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.772 -178.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.431 ' HB3' ' OG ' ' A' ' 48' ' ' SER . 78.9 m-20 -78.39 -35.89 46.6 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -175.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.439 ' HE3' ' O ' ' A' ' 44' ' ' ASN . 34.0 mmtp 58.79 19.05 6.56 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.162 -176.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.431 ' OG ' ' HB3' ' A' ' 46' ' ' ASN . 15.8 m -64.91 118.82 9.61 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.651 -177.51 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.7 pttt -58.17 -47.52 83.12 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.606 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -63.49 -37.1 86.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.959 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.497 ' O ' HG13 ' A' ' 55' ' ' ILE . 55.2 tp -66.08 -43.38 87.52 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 177.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -58.11 -47.25 83.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.914 178.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.446 ' O ' ' HD3' ' A' ' 57' ' ' ARG . 40.6 mt-10 -62.53 -43.8 97.93 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.491 -179.227 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -59.82 -46.47 89.15 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.837 0.351 . . . . 0.0 110.461 177.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.497 HG13 ' O ' ' A' ' 51' ' ' LEU . 82.5 mt -59.31 -53.24 50.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.157 -179.048 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.4 tp -70.38 -34.07 56.6 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.857 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -177.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.446 ' HD3' ' O ' ' A' ' 53' ' ' GLU . 7.2 mpt_? -67.48 -52.58 37.58 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.621 0.248 . . . . 0.0 110.982 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.413 ' O ' HG22 ' A' ' 62' ' ' VAL . 42.3 mt-10 -70.32 -31.77 69.23 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.944 -0.303 . . . . 0.0 111.11 -178.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 65.6 tp -61.58 -44.52 96.86 Favored 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 176.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -60.45 -43.96 96.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.632 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 90.5 t -60.66 -44.37 96.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 CA-C-O 120.985 0.422 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 58' ' ' GLU . 60.4 t -67.19 -38.95 82.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.447 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.472 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 72.8 m -62.8 -41.56 99.34 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.994 0.426 . . . . 0.0 110.187 179.234 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.94 -49.62 69.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.878 -178.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 22.7 ptp -63.73 -34.68 78.42 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.497 -178.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.4 mp -67.17 -43.72 88.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.038 178.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.472 ' HG3' ' O ' ' A' ' 63' ' ' CYS . 48.4 mt-10 -65.36 -38.05 88.9 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 120.747 0.308 . . . . 0.0 111.381 -178.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.53 -47.87 60.07 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.705 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.37 -42.12 75.6 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 122.94 -0.153 . . . . 0.0 111.381 -178.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.614 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 13.1 pt20 -63.88 -37.53 87.75 Favored 'General case' 0 C--O 1.22 -0.483 0 C-N-CA 120.426 -0.509 . . . . 0.0 110.455 -179.06 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -70.16 -41.96 68.35 Favored Glycine 0 C--O 1.243 0.659 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.299 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.84 -54.5 25.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.134 -0.533 . . . . 0.0 110.256 -179.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.518 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 25.9 tp -57.34 -41.93 80.96 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.187 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.614 ' HB2' ' O ' ' A' ' 70' ' ' GLN . 0.7 OUTLIER -54.19 -50.51 66.88 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.243 0.544 . . . . 0.0 110.022 179.67 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -56.87 -43.1 80.88 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.754 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -71.49 -55.7 7.35 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.945 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 3.5 pp -58.38 -19.8 38.83 Favored 'General case' 0 CA--C 1.512 -0.505 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -177.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.416 ' N ' HD13 ' A' ' 77' ' ' LEU . 14.9 mmtp -64.06 -10.45 22.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.788 0.328 . . . . 0.0 111.79 -179.308 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -59.33 -25.59 64.31 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.307 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 27.6 m -74.79 97.72 3.33 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.204 0.526 . . . . 0.0 110.732 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -66.67 -44.04 82.88 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.796 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.2 tt -148.29 136.84 21.51 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.696 -0.402 . . . . 0.0 111.416 -178.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.456 ' HB3' ' HB2' ' A' ' 86' ' ' GLU . 0.9 OUTLIER 172.35 115.62 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.787 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.6 mp -56.21 -45.36 80.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 O-C-N 123.378 0.424 . . . . 0.0 111.943 -175.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.33 -49.85 38.37 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.32 -176.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.456 ' HB2' ' HB3' ' A' ' 83' ' ' ASN . 25.3 mm-40 -60.82 -41.1 95.07 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.53 -178.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 19.2 tpp85 -58.26 -49.15 78.14 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 120.907 0.384 . . . . 0.0 110.134 178.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -60.1 -40.87 91.14 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.654 179.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -65.02 -51.72 60.02 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.716 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 8.3 m-30 -55.15 -55.25 33.32 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.41 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -60.21 -39.09 85.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.143 -178.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -66.39 -47.3 73.75 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.824 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.74 -43.88 90.35 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.84 0.352 . . . . 0.0 110.793 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -67.27 -32.94 74.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.467 ' O ' HG13 ' A' ' 99' ' ' ILE . 91.4 m -60.1 -49.98 75.5 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 174.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.444 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 79.4 mt -70.38 -35.13 73.33 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.262 -178.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.479 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 41.5 t -56.28 -52.14 65.6 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.511 178.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -63.52 -34.48 77.88 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.175 -179.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 95' ' ' THR . 88.2 mt -65.26 -44.9 94.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 CA-C-O 121.218 0.533 . . . . 0.0 109.88 178.48 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.464 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 98.8 mt -63.44 -42.19 98.68 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.78 179.342 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 97' ' ' SER . 96.3 mt -62.95 -41.71 99.59 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.122 178.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.6 tmmm? -62.26 -39.75 93.91 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.487 177.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -71.31 -34.94 71.06 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.412 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 100' ' ' LEU . 96.3 mt -62.83 -45.89 90.47 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 175.642 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.472 ' HA ' ' HG2' ' A' ' 108' ' ' GLU . 41.8 mttp -57.5 -31.74 66.32 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.402 177.17 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.529 ' O ' ' HE3' ' A' ' 110' ' ' LYS . 41.8 mm-40 -67.93 -41.57 82.37 Favored 'General case' 0 CA--C 1.511 -0.542 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.3 175.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.484 ' O ' HG23 ' A' ' 111' ' ' VAL . 25.2 m -66.59 -54.57 22.07 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -177.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.472 ' HG2' ' HA ' ' A' ' 105' ' ' LYS . 9.0 pt-20 -54.06 -51.39 64.24 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 111.728 0.269 . . . . 0.0 111.728 179.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.45 ' N ' ' HG3' ' A' ' 108' ' ' GLU . 16.1 mm-40 -61.83 -37.71 85.48 Favored 'General case' 0 C--O 1.226 -0.145 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -179.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.529 ' HE3' ' O ' ' A' ' 106' ' ' GLU . 0.0 OUTLIER -67.74 -42.82 81.23 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.329 0.585 . . . . 0.0 110.511 179.227 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 107' ' ' THR . 69.8 t -61.15 -43.1 95.66 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.171 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.85 178.138 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 108' ' ' GLU . 64.8 mttm -66.37 -25.19 66.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.278 177.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -74.81 -25.78 59.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.753 -178.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.5 mp -74.15 121.19 24.78 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 CA-C-O 121.244 0.545 . . . . 0.0 109.779 177.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -76.62 121.09 22.72 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.758 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 30.7 p -116.56 -174.95 2.66 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.605 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 . . . . . 0 C--O 1.246 0.876 0 O-C-N 123.96 0.788 . . . . 0.0 112.155 179.821 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . 0.489 ' H ' ' NE2' ' A' ' 1' ' ' GLN . 2.4 mp0 . . . . . 0 N--CA 1.48 1.035 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -97.75 -19.16 18.39 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-O 121.142 0.496 . . . . 0.0 110.304 -178.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.7 p80 -159.21 155.94 27.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.214 178.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -115.16 153.11 47.29 Favored Pre-proline 0 C--N 1.315 -0.924 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.272 -177.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.67 115.8 3.28 Favored 'Trans proline' 0 C--O 1.238 0.493 0 C-N-CA 122.705 2.27 . . . . 0.0 111.696 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.3 mmtm -152.78 136.78 16.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.383 178.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -96.98 127.64 43.16 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.056 0.455 . . . . 0.0 110.815 -178.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -70.99 -27.67 63.88 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.637 -178.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -64.41 -28.3 69.59 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 121.115 0.484 . . . . 0.0 111.318 -177.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -88.98 -16.65 31.22 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.48 -176.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.537 ' NH1' ' HA ' ' A' ' 13' ' ' GLU . 2.1 tmm_? -76.81 102.12 6.16 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 121.193 0.521 . . . . 0.0 110.823 -176.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -79.17 147.97 32.47 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 175.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.537 ' HA ' ' NH1' ' A' ' 11' ' ' ARG . 7.2 tp10 -53.95 -57.88 9.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 123.297 0.373 . . . . 0.0 111.485 -177.1 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -143.02 177.25 8.49 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 -178.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -66.29 -33.55 75.98 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.239 0.542 . . . . 0.0 110.195 178.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -133.34 131.64 40.34 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.07 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.468 HD11 ' H ' ' A' ' 20' ' ' GLU . 0.4 OUTLIER -172.71 106.73 0.17 Allowed 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.098 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.8 mp -55.83 -53.49 56.05 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.491 -175.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.527 HD11 ' CD1' ' A' ' 90' ' ' TYR . 23.6 mm -59.24 -37.23 67.68 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.151 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.12 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.468 ' H ' HD11 ' A' ' 17' ' ' LEU . 4.7 tp10 -57.51 -43.43 84.25 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.005 0.431 . . . . 0.0 110.507 179.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -50.01 74.58 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.901 179.357 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.66 -37.1 79.38 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.54 0.686 . . . . 0.0 110.739 -178.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -59.84 -42.31 93.3 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.417 -1.265 . . . . 0.0 111.106 -178.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 -77.11 -32.21 56.39 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 119.87 -0.732 . . . . 0.0 112.577 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.35 -44.88 93.55 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 118.541 0.61 . . . . 0.0 111.289 176.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 36.8 pt -67.15 -31.88 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.099 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.241 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -59.25 -44.02 92.4 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 121.473 0.654 . . . . 0.0 109.452 175.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -65.18 -44.0 89.88 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.969 177.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.561 ' O ' ' HG3' ' A' ' 32' ' ' GLN . . . -60.29 -45.89 95.29 Favored Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 116.039 -0.528 . . . . 0.0 113.618 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -64.38 -37.24 86.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.139 0.495 . . . . 0.0 110.883 -178.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -66.23 -48.71 69.66 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.668 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.561 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 1.0 OUTLIER -67.13 -33.85 76.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.134 179.475 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.45 HD12 ' OD1' ' A' ' 103' ' ' ASP . 2.2 tm? -62.47 -52.04 65.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.752 -0.204 . . . . 0.0 110.502 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.465 ' O ' ' HD2' ' A' ' 38' ' ' HIS . 4.6 pp -65.81 -27.62 68.39 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 120.371 -0.532 . . . . 0.0 110.336 -179.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -65.95 -54.4 26.78 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.813 178.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.37 -31.31 72.36 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.557 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -59.84 -39.2 84.32 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 121.157 0.503 . . . . 0.0 110.541 177.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.465 ' HD2' ' O ' ' A' ' 34' ' ' LEU . 43.2 m-70 -66.02 -34.61 78.48 Favored 'General case' 0 C--O 1.25 1.103 0 CA-C-O 121.518 0.675 . . . . 0.0 110.064 176.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -68.56 -41.95 79.03 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.607 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.3 tp -51.67 -46.31 63.73 Favored 'General case' 0 C--N 1.34 0.183 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.268 175.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -57.51 -42.76 83.42 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.016 0.436 . . . . 0.0 110.4 177.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -65.42 -45.42 83.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.051 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.1 tp -56.26 -40.68 74.6 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.997 178.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -58.92 -40.58 84.99 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.995 0.426 . . . . 0.0 111.302 178.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -81.12 -46.08 15.48 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.794 -176.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -77.26 -30.62 54.46 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.032 0.444 . . . . 0.0 110.604 -177.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.533 ' O ' HG23 ' A' ' 116' ' ' THR . 0.1 OUTLIER 57.27 27.06 13.09 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.271 179.75 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.3 t -67.65 121.5 16.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.155 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.611 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -62.52 -47.88 82.0 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.874 178.704 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.428 ' H ' ' HG2' ' A' ' 49' ' ' LYS . 15.8 pt-20 -63.97 -40.03 95.48 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.879 -179.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.412 ' O ' HG13 ' A' ' 55' ' ' ILE . 42.2 tp -60.53 -43.66 96.9 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 176.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -57.86 -45.54 86.15 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.757 178.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.48 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 42.4 tt0 -62.07 -46.08 90.69 Favored 'General case' 0 N--CA 1.438 -1.059 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.353 -178.217 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.465 ' HB3' ' HZ2' ' A' ' 54' ' ' LYS . 7.3 mtpm? -65.35 -42.9 92.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.677 0.275 . . . . 0.0 110.359 178.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 51' ' ' LEU . 66.3 mt -60.3 -51.1 76.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.193 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 15.4 tt -66.88 -31.94 55.75 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-O 120.727 0.298 . . . . 0.0 111.354 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.48 ' HB2' ' O ' ' A' ' 53' ' ' GLU . 4.9 tpt85 -68.87 -52.62 27.76 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.093 -178.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -64.94 -33.74 76.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.942 0.401 . . . . 0.0 109.92 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 52.8 tp -60.84 -46.78 89.2 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.927 179.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -64.97 -42.87 94.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.954 -178.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.8 t -62.9 -48.63 87.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 CA-C-O 120.964 0.411 . . . . 0.0 111.357 -178.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.425 ' HA ' ' HE2' ' A' ' 65' ' ' MET . 47.3 t -66.35 -33.55 64.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.327 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.767 ' SG ' ' HE2' ' A' ' 105' ' ' LYS . 51.7 t -66.32 -41.32 89.81 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.263 0.554 . . . . 0.0 109.964 177.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.52 -45.05 84.99 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.336 -177.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.425 ' HE2' ' HA ' ' A' ' 62' ' ' VAL . 21.9 ptp -65.87 -36.43 83.4 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.884 0.373 . . . . 0.0 110.347 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.3 mp -68.02 -41.72 84.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.877 178.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 63' ' ' CYS . 46.3 mt-10 -66.28 -35.54 80.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.132 0.491 . . . . 0.0 110.441 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -68.0 -47.44 59.89 Favored Glycine 0 N--CA 1.443 -0.888 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.189 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.455 ' O ' ' HG ' ' A' ' 73' ' ' LEU . . . -69.83 -39.31 76.52 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -58.63 -44.71 90.08 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-O 121.219 0.533 . . . . 0.0 109.642 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.19 -41.39 99.66 Favored Glycine 0 C--O 1.25 1.113 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.69 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.77 -57.36 7.22 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-N 114.89 -0.655 . . . . 0.0 111.12 -177.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.662 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 4.4 pp -62.95 -38.81 92.54 Favored 'General case' 0 C--O 1.215 -0.727 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.144 -178.195 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.533 ' N ' HD13 ' A' ' 73' ' ' LEU . 11.7 tp10 -55.44 -54.3 45.49 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.093 0.473 . . . . 0.0 110.722 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -62.49 -34.12 76.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.653 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -75.97 -55.21 5.83 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.783 -179.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.662 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 3.7 pp -57.39 -24.94 58.45 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -178.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.498 ' N ' HD13 ' A' ' 77' ' ' LEU . 14.0 mmtp -69.09 -31.87 70.89 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-O 121.075 0.465 . . . . 0.0 111.63 -178.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.468 ' O ' ' HD3' ' A' ' 79' ' ' ARG . 1.1 tmt_? -72.05 -29.99 64.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.899 -176.176 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.7 p -95.11 -0.99 52.95 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.518 ' HB2' ' CE2' ' A' ' 90' ' ' TYR . 13.7 t70 -90.84 139.01 31.15 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.762 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.2 pp -165.67 -24.84 0.03 OUTLIER 'General case' 0 CA--C 1.511 -0.552 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -177.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.564 ' HB3' ' OE1' ' A' ' 86' ' ' GLU . 26.8 t30 -85.02 155.03 21.73 Favored 'General case' 0 C--N 1.289 -2.042 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -176.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 62.5 mt -60.3 -47.04 93.91 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -174.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 50.8 tp -72.34 -45.94 57.71 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 121.178 0.513 . . . . 0.0 110.198 -176.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.564 ' OE1' ' HB3' ' A' ' 83' ' ' ASN . 29.7 mp0 -58.76 -43.48 90.34 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.897 178.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.492 ' HG2' ' OD2' ' A' ' 81' ' ' ASP . 45.8 mtm180 -58.85 -45.24 90.55 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 121.178 0.513 . . . . 0.0 110.76 178.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -64.8 -38.6 91.54 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.185 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -66.12 -50.19 64.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.875 0.369 . . . . 0.0 110.533 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.527 ' CD1' HD11 ' A' ' 19' ' ' ILE . 4.0 m-30 -55.15 -48.87 73.1 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.629 177.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -57.33 -42.05 81.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.297 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -66.98 -37.01 83.46 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 120.919 0.39 . . . . 0.0 110.632 -179.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.38 -40.86 96.64 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.418 0.627 . . . . 0.0 109.42 177.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 90' ' ' TYR . 25.3 mt-30 -62.0 -39.12 91.14 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.541 176.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.459 ' O ' HG13 ' A' ' 99' ' ' ILE . 89.9 m -57.03 -50.21 73.43 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.604 178.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 87.7 mt -68.05 -39.23 83.07 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.724 -177.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.0 p -63.02 -41.52 99.56 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.027 0.442 . . . . 0.0 111.128 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.513 ' HE2' ' HA ' ' A' ' 98' ' ' LYS . 6.9 mmpt? -59.89 -44.68 94.09 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.995 178.227 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 95' ' ' THR . 84.1 mt -59.73 -44.37 93.59 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.91 178.131 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 66.6 tp -60.04 -51.98 67.34 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.209 -0.905 . . . . 0.0 112.138 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.95 -38.05 89.64 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.976 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -62.95 -50.46 70.71 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 110.509 -0.182 . . . . 0.0 110.509 177.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.45 ' OD1' HD12 ' A' ' 33' ' ' LEU . 5.3 t70 -62.81 -34.69 77.82 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -63.07 -53.67 50.12 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.766 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.767 ' HE2' ' SG ' ' A' ' 63' ' ' CYS . 5.4 mptp? -60.93 -31.85 71.37 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.948 178.524 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -64.95 -36.47 84.48 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 177.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 26.8 m -64.69 -47.5 78.14 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.228 177.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -51.11 -49.47 60.69 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 123.779 0.831 . . . . 0.0 110.998 176.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.534 ' O ' ' HG2' ' A' ' 112' ' ' LYS . 30.8 tt0 -59.94 -39.41 85.45 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.168 178.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.4 ' O ' ' HB3' ' A' ' 113' ' ' ASP . 96.0 mttt -71.12 -43.54 67.42 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -177.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 34.6 m -62.41 -40.36 87.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 CA-C-O 120.757 0.313 . . . . 0.0 110.733 178.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.534 ' HG2' ' O ' ' A' ' 109' ' ' GLN . 11.5 ptmm? -76.94 -15.07 59.77 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 120.991 0.424 . . . . 0.0 110.687 177.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.4 ' HB3' ' O ' ' A' ' 110' ' ' LYS . 31.8 t70 -74.32 -30.12 61.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.02 178.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.5 mp -66.79 124.19 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-O 120.924 0.393 . . . . 0.0 109.995 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -79.51 122.25 26.22 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.306 -0.406 . . . . 0.0 109.911 178.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.533 HG23 ' O ' ' A' ' 47' ' ' LYS . 3.3 p -127.9 -164.35 1.36 Allowed 'General case' 0 C--N 1.309 -1.188 0 O-C-N 122.337 -0.227 . . . . 0.0 110.87 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.449 ' HB2' ' HD2' ' A' ' 49' ' ' LYS . 53.5 mt-30 . . . . . 0 C--O 1.246 0.91 0 CA-C-O 118.435 -0.793 . . . . 0.0 110.399 178.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 120.862 0.363 . . . . 0.0 111.388 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -130.75 116.8 18.49 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 121.082 0.468 . . . . 0.0 111.528 -178.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 38.3 p-80 -147.22 77.51 1.45 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.371 0.605 . . . . 0.0 110.673 177.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -107.45 147.53 35.45 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.836 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -75.55 -29.8 7.03 Favored 'Trans proline' 0 CA--C 1.532 0.407 0 C-N-CA 122.753 2.302 . . . . 0.0 111.669 177.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -73.63 88.7 1.7 Allowed 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 121.243 0.544 . . . . 0.0 111.096 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.5 ptmm? -88.9 -33.4 17.32 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.031 177.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -94.69 67.12 3.25 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.075 -176.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -80.73 -43.76 19.75 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.488 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -117.42 46.47 1.71 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.584 0.707 . . . . 0.0 109.509 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 11' ' ' ARG . 36.3 mmt180 -136.64 98.01 3.69 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.217 -179.008 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -87.43 -6.71 58.31 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.647 0.736 . . . . 0.0 109.739 178.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -78.81 85.52 4.79 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.834 -179.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 47.52 73.83 0.18 Allowed 'General case' 0 C--O 1.236 0.376 0 CA-C-N 114.855 -1.066 . . . . 0.0 112.022 -177.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.4 p-10 -72.58 -44.0 62.64 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.263 -178.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -166.14 164.95 17.96 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 178.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.486 HD13 ' H ' ' A' ' 17' ' ' LEU . 8.1 mp -25.48 119.01 0.06 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.477 1.111 . . . . 0.0 113.489 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.1 mt -58.15 -38.15 76.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.258 -178.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.55 HD11 ' CD1' ' A' ' 90' ' ' TYR . 19.9 mm -62.69 -45.3 99.17 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.346 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.68 178.129 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -58.79 -35.88 73.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.132 0.492 . . . . 0.0 110.81 179.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -68.65 -49.84 55.9 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.749 178.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.93 -40.74 89.95 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.572 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -65.45 -35.54 81.22 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.005 -179.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -70.78 -37.92 73.38 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.155 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.78 -47.83 84.11 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.765 177.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 31.5 pt -64.74 -34.68 71.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 C-N-CA 120.749 -0.381 . . . . 0.0 111.109 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -54.64 -52.53 62.0 Favored 'General case' 0 C--O 1.245 0.855 0 CA-C-O 121.253 0.549 . . . . 0.0 109.874 175.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -62.3 -43.24 99.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.489 179.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.48 -44.84 90.28 Favored Glycine 0 C--N 1.337 0.638 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.541 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.414 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 44.3 mt-10 -61.34 -42.76 99.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.026 0.441 . . . . 0.0 110.985 -179.596 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 39.0 t-80 -66.54 -47.65 72.2 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.339 -178.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.18 -31.83 68.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.384 -178.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.415 ' O ' HD23 ' A' ' 33' ' ' LEU . 1.4 tm? -67.21 -48.84 66.67 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.616 0.246 . . . . 0.0 110.567 178.355 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 30' ' ' GLU . 78.4 mt -65.19 -31.21 72.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.162 0.506 . . . . 0.0 109.861 -179.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -67.65 -54.62 18.08 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.81 179.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.2 mt -60.52 -30.13 69.55 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.291 -0.413 . . . . 0.0 112.028 -178.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -57.45 -31.77 66.27 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 120.834 0.349 . . . . 0.0 110.842 177.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 36.7 t60 -66.92 -43.72 82.58 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 177.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -57.81 -44.46 86.38 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.946 176.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.408 HD21 ' C ' ' A' ' 40' ' ' LEU . 8.2 tt -50.23 -49.2 53.65 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 123.181 0.592 . . . . 0.0 110.925 175.155 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -56.51 -40.9 75.8 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.113 0.482 . . . . 0.0 110.512 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -68.41 -41.74 80.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.361 178.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.0 tp -56.64 -39.4 73.6 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.765 177.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.526 ' OD1' HD11 ' A' ' 114' ' ' ILE . 92.2 m-20 -58.23 -33.92 69.86 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.13 0.49 . . . . 0.0 110.476 177.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -80.05 -45.34 18.5 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.264 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -79.08 -37.05 39.78 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -176.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.418 ' HE2' ' O ' ' A' ' 44' ' ' ASN . 75.7 mmtt 58.55 22.39 9.67 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 -174.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.9 t -67.86 125.42 26.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.333 -0.849 . . . . 0.0 112.3 -176.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.595 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -63.51 -40.74 97.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.424 176.523 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.587 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 61.9 mm-40 -66.24 -45.32 81.04 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.531 179.588 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 51.4 tp -62.95 -41.76 99.61 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -58.02 -43.5 86.75 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.154 177.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.438 ' O ' ' HD3' ' A' ' 57' ' ' ARG . 36.0 tt0 -61.93 -48.21 81.46 Favored 'General case' 0 N--CA 1.434 -1.259 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.332 -179.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.587 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 42.7 mmtm -64.96 -42.54 94.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.84 0.352 . . . . 0.0 110.309 -178.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 71.8 mt -60.11 -51.32 74.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.049 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 15.4 tt -68.45 -32.12 54.12 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 121.002 -0.279 . . . . 0.0 111.427 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.438 ' HD3' ' O ' ' A' ' 53' ' ' GLU . 1.5 mpt_? -66.55 -52.1 49.32 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.828 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -66.38 -35.19 79.7 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 120.839 -0.345 . . . . 0.0 110.483 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 23.9 tp -62.7 -44.42 96.29 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -59.52 -46.28 89.32 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.471 178.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.423 HG22 ' O ' ' A' ' 57' ' ' ARG . 64.4 t -62.11 -48.12 89.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.981 -179.689 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 87.3 t -64.65 -41.31 91.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.572 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 50.9 t -63.24 -41.59 99.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.917 0.389 . . . . 0.0 110.193 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.74 -50.67 68.19 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.845 -179.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 22.6 ptp -63.46 -37.06 85.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.946 0.403 . . . . 0.0 110.637 -178.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.4 mp -66.78 -45.13 88.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.33 179.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -67.27 -39.24 86.04 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.89 0.376 . . . . 0.0 111.062 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.54 -42.78 97.29 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.921 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.65 -39.0 70.65 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 179.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.14 -47.78 83.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.09 0.471 . . . . 0.0 110.256 -179.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.2 -42.17 91.35 Favored Glycine 0 C--O 1.244 0.72 0 CA-C-N 115.606 -0.725 . . . . 0.0 112.594 -178.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.36 -53.01 49.67 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-O 121.195 0.521 . . . . 0.0 110.192 -178.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.658 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 27.2 tp -56.69 -42.03 78.38 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.488 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.5 ' OE1' HD11 ' A' ' 77' ' ' LEU . 2.2 mm-40 -53.59 -53.07 57.04 Favored 'General case' 0 C--O 1.22 -0.451 0 O-C-N 123.414 0.446 . . . . 0.0 111.454 179.07 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.416 ' C ' ' HD3' ' A' ' 75' ' ' ARG . 4.4 tmt_? -57.83 -41.53 82.45 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 120.58 0.229 . . . . 0.0 110.742 -178.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -72.56 -54.8 8.15 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.633 -178.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.658 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 2.5 pp -59.04 -25.04 63.37 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -177.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.553 ' N ' HD13 ' A' ' 77' ' ' LEU . 59.9 mmtt -64.78 -24.88 67.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.489 0.661 . . . . 0.0 110.537 -178.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 26.8 ttp180 -92.4 -11.83 33.85 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.271 -178.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.4 m -128.53 77.08 1.75 Allowed 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -175.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -154.84 137.07 14.83 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 177.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.563 ' O ' ' HB2' ' A' ' 83' ' ' ASN . 51.1 tp -161.14 110.32 1.61 Allowed 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.075 -0.65 . . . . 0.0 111.919 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.563 ' HB2' ' O ' ' A' ' 82' ' ' LEU . 1.7 t30 121.14 167.99 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.675 1.59 . . . . 0.0 112.348 170.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.458 ' H ' ' ND2' ' A' ' 83' ' ' ASN . 48.8 mt -51.54 -44.9 34.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 114.956 -1.02 . . . . 0.0 113.728 -175.105 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 59.0 tp -71.45 -45.5 62.44 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.668 -177.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -58.45 -46.23 86.96 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.563 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -57.96 -42.88 85.93 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 121.263 0.554 . . . . 0.0 110.617 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -67.67 -44.49 77.7 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.91 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -57.12 -52.9 63.43 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-O 121.187 0.517 . . . . 0.0 109.89 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.568 ' CE2' ' HB2' ' A' ' 77' ' ' LEU . 5.8 m-85 -55.25 -53.94 49.7 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.565 178.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -53.52 -50.96 64.35 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.67 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -65.79 -48.37 71.99 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -177.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.98 -43.29 86.43 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.87 0.367 . . . . 0.0 111.446 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -63.52 -36.63 84.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.175 178.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 59.5 m -60.61 -50.87 71.79 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.991 176.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 87.9 mt -67.43 -40.58 85.51 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.534 -176.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 6.0 p -60.33 -46.36 90.18 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.676 -178.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -60.37 -42.78 96.53 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.755 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 79.5 mt -61.83 -44.38 98.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-O 121.268 0.556 . . . . 0.0 110.298 178.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.516 ' O ' HD23 ' A' ' 104' ' ' LEU . 3.2 tm? -56.61 -51.22 69.52 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.985 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.63 -38.62 85.39 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 111.976 0.362 . . . . 0.0 111.976 -179.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -65.35 -33.73 76.66 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 121.084 -0.246 . . . . 0.0 111.035 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -71.48 -38.28 71.22 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.516 HD23 ' O ' ' A' ' 100' ' ' LEU . 4.4 mm? -63.31 -48.74 76.8 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.824 0.345 . . . . 0.0 110.337 178.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 57.0 mmtt -61.81 -35.33 77.88 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.677 ' O ' ' HG2' ' A' ' 110' ' ' LYS . 34.7 tt0 -66.02 -38.13 87.64 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 177.407 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 37.6 m -61.23 -48.85 79.59 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.27 178.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -51.38 -47.49 62.85 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.531 175.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.547 ' HA ' ' HE2' ' A' ' 112' ' ' LYS . 63.4 tt0 -59.39 -42.15 91.06 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.341 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.677 ' HG2' ' O ' ' A' ' 106' ' ' GLU . 13.8 mmmm -64.63 -49.17 72.11 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.212 0.529 . . . . 0.0 110.9 -178.596 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 35.1 m -65.23 -40.81 89.88 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.658 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.576 -176.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.547 ' HE2' ' HA ' ' A' ' 109' ' ' GLN . 50.4 pttt -75.35 -14.95 60.51 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.975 0.417 . . . . 0.0 111.11 178.256 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -78.65 -24.73 45.06 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.552 177.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.526 HD11 ' OD1' ' A' ' 44' ' ' ASN . 1.5 mp -68.29 120.38 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 176.288 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -72.03 124.8 25.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.162 0.506 . . . . 0.0 111.074 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 55.5 p -122.19 -163.74 1.1 Allowed 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.098 179.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.502 ' HB2' ' HD2' ' A' ' 49' ' ' LYS . 49.4 mt-30 . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.451 -0.785 . . . . 0.0 109.606 175.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 . . . . . 0 N--CA 1.474 0.756 0 CA-C-O 120.879 0.371 . . . . 0.0 111.319 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -64.07 -55.5 21.66 Favored 'General case' 0 N--CA 1.453 -0.321 0 O-C-N 122.04 -0.413 . . . . 0.0 109.928 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -94.19 104.46 16.47 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.343 0.592 . . . . 0.0 111.249 178.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -63.67 165.62 11.66 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.882 177.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -49.11 158.59 1.32 Allowed 'Trans proline' 0 C--N 1.367 1.517 0 C-N-CA 122.887 2.391 . . . . 0.0 111.71 177.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -93.89 135.04 35.64 Favored 'General case' 0 C--N 1.311 -1.073 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.212 -173.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 8' ' ' ASP . 20.4 pttm -64.15 -41.12 97.3 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.38 0.609 . . . . 0.0 109.905 177.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.419 ' N ' ' HG3' ' A' ' 7' ' ' LYS . 21.1 m-20 -82.64 141.68 32.32 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.901 -178.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -107.13 34.08 3.66 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.012 0.434 . . . . 0.0 110.738 -177.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -56.46 157.74 4.88 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.682 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.412 ' C ' ' H ' ' A' ' 13' ' ' GLU . 92.8 mtt180 -143.96 -159.46 0.99 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.362 -173.51 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -79.73 25.63 0.34 Allowed 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.154 0.502 . . . . 0.0 111.195 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.412 ' H ' ' C ' ' A' ' 11' ' ' ARG . 43.1 mt-10 -97.38 119.2 35.49 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.63 179.219 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -109.08 76.22 0.99 Allowed 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.424 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.24 -29.4 63.9 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.245 177.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.4 p80 41.76 70.31 0.29 Allowed 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.135 0.974 . . . . 0.0 112.628 -179.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.637 ' HB2' ' OE1' ' A' ' 20' ' ' GLU . 87.5 mt -126.58 -165.11 1.41 Allowed 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.128 178.301 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 49.0 mt -57.59 -60.56 3.48 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -176.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.442 HD11 ' CD1' ' A' ' 90' ' ' TYR . 33.0 mm -67.09 -35.93 75.7 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.633 0 C-N-CA 121.148 -0.221 . . . . 0.0 111.506 -177.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.637 ' OE1' ' HB2' ' A' ' 17' ' ' LEU . 22.2 mp0 -57.24 -44.32 83.74 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 120.836 0.35 . . . . 0.0 110.445 178.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 17' ' ' LEU . 16.3 mm100 -68.31 -40.1 81.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.037 179.181 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.419 ' HB3' ' CD2' ' A' ' 73' ' ' LEU . . . -67.95 -38.22 82.55 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 121.509 0.671 . . . . 0.0 110.435 178.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.471 ' HA ' HG12 ' A' ' 26' ' ' ILE . 16.5 t-20 -66.87 -38.61 86.65 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.444 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -62.72 -43.38 98.95 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.384 177.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.52 -50.2 73.68 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 115.925 -0.58 . . . . 0.0 112.02 178.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.471 HG12 ' HA ' ' A' ' 23' ' ' ASN . 39.1 pt -67.14 -31.37 52.91 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.393 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.213 -179.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -59.1 -55.19 38.22 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-O 121.392 0.615 . . . . 0.0 109.425 175.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -62.94 -39.8 95.7 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.704 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.5 -43.09 99.77 Favored Glycine 0 C--N 1.334 0.463 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.517 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -60.05 -47.76 84.54 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.303 0.573 . . . . 0.0 110.748 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -63.65 -48.19 78.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.172 -177.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -68.37 -33.04 73.56 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.407 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.552 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 1.4 tm? -64.19 -46.92 81.83 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 178.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.0 mt -63.52 -31.5 72.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.156 0.503 . . . . 0.0 109.681 179.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -68.79 -53.18 23.18 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.87 178.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.97 -32.36 72.8 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 116.354 -0.384 . . . . 0.0 112.032 -177.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.552 ' HG3' ' O ' ' A' ' 33' ' ' LEU . 84.3 mt-30 -63.18 -30.09 71.31 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.19 177.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -72.29 -32.82 66.94 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.345 176.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -67.2 -44.96 78.29 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 177.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.1 tp -52.91 -47.26 68.1 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.728 175.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -59.14 -41.38 88.12 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.518 0.675 . . . . 0.0 110.216 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -62.74 -44.75 95.41 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.141 178.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -63.54 -35.96 82.21 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 123.145 0.578 . . . . 0.0 111.455 -177.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -60.52 -38.31 83.97 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.127 0.489 . . . . 0.0 110.589 -177.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -89.86 -39.4 13.09 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.653 -179.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -71.64 -37.22 70.87 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -176.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? 53.35 101.64 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.937 0 CA-C-O 122.005 0.907 . . . . 0.0 111.944 -176.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.6 m -156.11 117.66 3.92 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 114.621 -1.172 . . . . 0.0 111.978 -177.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.597 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -60.61 -42.23 96.38 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 121.006 0.432 . . . . 0.0 110.085 177.895 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.483 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 9.1 pt-20 -64.51 -38.98 92.89 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.132 178.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 47.2 tp -68.65 -39.52 80.64 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.54 ' HG3' HG23 ' A' ' 111' ' ' VAL . 50.4 tt0 -59.92 -44.54 94.25 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.378 177.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' A' ' 49' ' ' LYS . 46.2 mt-10 -59.9 -45.11 93.59 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.435 178.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.483 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 45.2 mmtm -60.4 -45.68 92.69 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.003 0.43 . . . . 0.0 110.712 179.317 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 69.6 mt -61.25 -53.52 47.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.453 -178.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.4 HG22 ' O ' ' A' ' 52' ' ' GLN . 12.5 tt -66.05 -35.2 74.47 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 120.981 -0.288 . . . . 0.0 111.471 -178.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -67.46 -47.53 69.84 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 111.558 0.207 . . . . 0.0 111.558 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.45 ' O ' HG11 ' A' ' 61' ' ' VAL . 28.5 tt0 -71.55 -34.35 69.92 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 120.125 -0.63 . . . . 0.0 111.071 179.006 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 23.5 tp -62.88 -46.43 87.9 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.314 0.578 . . . . 0.0 109.651 179.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -61.06 -48.21 82.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.806 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.45 HG11 ' O ' ' A' ' 58' ' ' GLU . 10.0 p -63.42 -35.89 74.11 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.662 0 CA-C-O 120.81 0.338 . . . . 0.0 110.908 -178.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 53.8 t -69.17 -40.64 80.75 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.172 0 CA-C-N 116.353 -0.385 . . . . 0.0 109.969 176.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 45.3 t -62.84 -39.42 94.29 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.851 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.48 -46.69 72.22 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.762 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.5 ptp -67.32 -35.13 78.8 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.587 -178.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.5 mp -67.75 -43.35 86.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.546 177.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -69.51 -38.02 77.41 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -179.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.51 -46.9 88.96 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.78 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.62 -38.41 86.88 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.676 0.274 . . . . 0.0 110.441 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.642 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 15.8 mt-30 -62.48 -44.86 95.37 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.755 179.043 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.04 -43.56 95.6 Favored Glycine 0 C--O 1.238 0.347 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.334 -178.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.25 -56.23 16.05 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 121.199 0.523 . . . . 0.0 110.64 -178.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.507 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 47.3 tp -61.39 -38.76 88.23 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.603 -178.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.642 ' HB2' ' O ' ' A' ' 70' ' ' GLN . 1.5 tm-20 -55.42 -52.3 64.04 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.849 0.357 . . . . 0.0 110.2 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -58.99 -38.7 79.76 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.994 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -69.96 -54.71 12.08 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.332 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 3.7 pp -60.85 -23.65 65.29 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -179.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.405 ' N ' HD11 ' A' ' 77' ' ' LEU . 23.9 mmtp -69.74 -19.58 63.54 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.198 0.523 . . . . 0.0 111.188 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 -79.23 -15.16 58.45 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.116 -177.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.4 m -82.86 139.95 33.16 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.693 179.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -48.51 137.25 11.87 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 122.857 0.463 . . . . 0.0 111.559 179.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.482 ' H ' HD12 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -72.06 73.21 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.975 0.893 . . . . 0.0 112.488 177.71 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -76.53 164.57 25.82 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 114.891 -1.05 . . . . 0.0 110.306 -178.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.8 mp -57.37 -54.76 26.55 Favored 'Isoleucine or valine' 0 C--O 1.242 0.668 0 CA-C-O 120.885 0.374 . . . . 0.0 111.645 -176.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 63.9 tp -70.27 -51.68 28.64 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.593 -178.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -55.71 -47.41 76.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.138 -0.483 . . . . 0.0 112.134 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -61.83 -42.6 99.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.016 0.436 . . . . 0.0 110.75 -178.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -63.48 -45.62 89.9 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.704 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -59.97 -47.46 85.73 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.208 179.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.442 ' CD1' HD11 ' A' ' 19' ' ' ILE . 5.3 m-30 -55.7 -50.08 71.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.473 177.284 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -57.51 -49.66 75.59 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.711 -179.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -67.03 -40.02 87.13 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.355 -177.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.49 -43.82 96.18 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 121.125 0.488 . . . . 0.0 109.795 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.445 ' O ' ' HG3' ' A' ' 98' ' ' LYS . 9.2 mm-40 -64.56 -34.52 78.44 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.969 177.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.521 ' O ' HG13 ' A' ' 99' ' ' ILE . 88.5 m -63.2 -49.14 75.39 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.48 176.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 89.2 mt -69.43 -38.63 77.93 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.35 -176.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.429 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 7.9 p -61.61 -43.88 98.04 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 120.681 0.277 . . . . 0.0 111.125 -179.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 94' ' ' GLN . 61.2 mttp -61.29 -34.52 75.33 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.412 177.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.521 HG13 ' O ' ' A' ' 95' ' ' THR . 84.9 mt -66.81 -48.36 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-O 121.164 0.507 . . . . 0.0 110.048 178.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.46 ' O ' HD22 ' A' ' 104' ' ' LEU . 90.5 mt -58.79 -49.24 78.41 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.951 -179.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 97' ' ' SER . 94.5 mt -56.0 -41.08 74.31 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.871 179.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -68.15 -33.48 74.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.356 178.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -75.59 -37.73 59.63 Favored 'General case' 0 C--O 1.24 0.605 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.22 -179.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.46 HD22 ' O ' ' A' ' 100' ' ' LEU . 4.6 mm? -62.03 -50.44 72.01 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.128 0.49 . . . . 0.0 109.686 175.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -58.23 -33.22 69.1 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.479 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.656 ' O ' ' HG2' ' A' ' 110' ' ' LYS . 9.1 mm-40 -67.16 -39.46 86.5 Favored 'General case' 0 CA--C 1.51 -0.586 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 176.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 38.2 m -63.4 -45.82 89.26 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.62 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.519 ' HG2' ' HD3' ' A' ' 112' ' ' LYS . 19.8 tt0 -51.11 -49.23 61.15 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.023 176.489 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -60.28 -38.53 83.86 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.16 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.656 ' HG2' ' O ' ' A' ' 106' ' ' GLU . 70.7 mmtt -65.32 -49.06 70.88 Favored 'General case' 0 C--O 1.242 0.703 0 CA-C-O 121.361 0.601 . . . . 0.0 111.607 -177.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.54 HG23 ' HG3' ' A' ' 52' ' ' GLN . 12.1 p -65.55 -38.94 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.483 -178.221 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.519 ' HD3' ' HG2' ' A' ' 108' ' ' GLU . 47.7 mtpt -71.02 -15.63 62.57 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 175.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -83.82 -22.08 31.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.147 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.3 mp -74.83 122.96 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-O 121.419 0.628 . . . . 0.0 110.168 176.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -81.76 124.22 29.44 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.763 176.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.4 p -126.19 175.55 7.7 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.608 -178.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 . . . . . 0 C--O 1.253 1.24 0 O-C-N 123.921 0.763 . . . . 0.0 110.833 -179.614 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 . . . . . 0 N--CA 1.475 0.788 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -95.06 -75.09 0.53 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.919 0.39 . . . . 0.0 111.066 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -111.67 69.88 0.7 Allowed 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.054 -176.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.408 ' HE3' ' HB3' ' A' ' 4' ' ' LYS . 26.5 mmmt -43.69 124.5 3.9 Favored Pre-proline 0 N--CA 1.471 0.583 0 CA-C-O 121.62 0.724 . . . . 0.0 110.984 174.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -61.97 153.13 70.81 Favored 'Trans proline' 0 CA--C 1.518 -0.319 0 C-N-CA 123.973 3.115 . . . . 0.0 114.094 -175.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -143.84 170.43 15.91 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 114.32 -1.309 . . . . 0.0 107.706 175.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.67 154.46 44.05 Favored 'General case' 0 C--N 1.304 -1.38 0 C-N-CA 120.251 -0.58 . . . . 0.0 110.23 178.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -55.76 134.29 51.49 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.911 178.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -81.03 -4.5 55.4 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.218 0.533 . . . . 0.0 110.3 -178.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -82.34 -6.08 59.02 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.853 177.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 66.7 mtp180 -114.97 -179.21 3.56 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.142 -178.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -67.63 108.45 2.9 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.623 -178.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -130.32 18.81 5.36 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.612 177.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 10.8 t80 58.84 33.93 23.36 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 114.715 -1.13 . . . . 0.0 111.768 178.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -73.75 -21.9 60.04 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.022 0.439 . . . . 0.0 109.82 178.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 75.36 43.1 0.21 Allowed 'General case' 0 C--O 1.234 0.28 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.181 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.455 ' HG ' ' H ' ' A' ' 20' ' ' GLU . 9.9 tp -98.94 143.84 28.78 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 114.71 -1.132 . . . . 0.0 109.81 177.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.421 ' H ' HD13 ' A' ' 17' ' ' LEU . 7.2 mp -51.89 -59.35 4.43 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 122.869 0.468 . . . . 0.0 111.717 -179.07 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.473 HD13 ' CD1' ' A' ' 90' ' ' TYR . 21.8 mm -60.77 -34.01 57.41 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.25 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.13 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.455 ' H ' ' HG ' ' A' ' 17' ' ' LEU . 38.2 tt0 -62.27 -49.13 76.92 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.766 -179.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -62.3 -46.08 90.35 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.443 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.45 -41.82 85.99 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 121.021 0.439 . . . . 0.0 110.982 176.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.455 ' HA ' HG12 ' A' ' 26' ' ' ILE . 28.0 t-20 -63.51 -41.59 98.52 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 179.167 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -61.38 -42.67 99.09 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.566 177.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.14 -45.92 86.4 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.752 -0.204 . . . . 0.0 111.533 178.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.455 HG12 ' HA ' ' A' ' 23' ' ' ASN . 33.3 pt -67.62 -33.8 64.19 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.16 0 C-N-CA 120.543 -0.463 . . . . 0.0 111.316 -179.309 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -60.52 -42.41 96.39 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 174.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -67.11 -46.25 74.75 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.143 177.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.429 ' O ' ' HG3' ' A' ' 32' ' ' GLN . . . -60.11 -43.65 98.1 Favored Glycine 0 C--O 1.221 -0.668 0 N-CA-C 111.885 -0.486 . . . . 0.0 111.885 -178.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.492 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 41.8 tt0 -59.06 -45.01 91.88 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.227 0.537 . . . . 0.0 110.387 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -67.05 -43.76 81.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.355 -178.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -69.94 -31.57 69.4 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.894 -0.323 . . . . 0.0 110.32 -179.886 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.475 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 1.8 tm? -65.85 -47.25 75.56 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 177.056 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 30' ' ' GLU . 96.3 mt -63.64 -33.85 76.53 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -68.34 -51.2 47.1 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.662 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.85 -34.33 75.78 Favored 'General case' 0 C--N 1.338 0.084 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.833 -178.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' A' ' 33' ' ' LEU . 89.3 mt-30 -65.58 -26.98 68.1 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.265 0.555 . . . . 0.0 110.534 178.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -72.2 -32.93 67.23 Favored 'General case' 0 C--O 1.245 0.826 0 CA-C-O 121.376 0.608 . . . . 0.0 109.598 175.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -68.6 -40.95 80.23 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 177.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.0 tp -52.15 -45.09 64.9 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.243 173.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -56.84 -42.56 79.89 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.983 0.42 . . . . 0.0 110.455 178.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -66.14 -46.64 76.8 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.333 177.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.5 tp -56.07 -41.22 74.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.369 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -60.45 -32.63 71.56 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.106 0.479 . . . . 0.0 111.097 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -84.45 -45.11 13.01 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.691 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.483 ' HB3' ' OG ' ' A' ' 48' ' ' SER . 94.7 m-20 -77.99 -33.18 51.43 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.298 -0.41 . . . . 0.0 112.091 -177.111 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.425 ' HZ1' HG13 ' A' ' 114' ' ' ILE . 74.3 mmtt 57.04 20.41 5.43 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.29 -175.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.483 ' OG ' ' HB3' ' A' ' 46' ' ' ASN . 13.6 m -65.68 118.79 10.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.391 -177.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.487 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 0.1 OUTLIER -62.21 -43.46 98.79 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.838 -179.246 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.474 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 10.5 pt-20 -61.84 -43.67 98.38 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 121.202 -0.199 . . . . 0.0 110.772 179.089 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.6 tp -59.51 -41.9 90.97 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 176.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -58.22 -44.58 88.26 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.262 177.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.487 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 7.4 mm-40 -59.05 -50.35 74.4 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.948 179.368 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 10.5 mmpt? -60.36 -47.33 86.53 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.416 -179.487 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 68.0 mt -60.04 -51.79 68.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.01 -177.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.479 ' O ' HD12 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -69.83 -35.86 67.0 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 C-N-CA 121.068 -0.253 . . . . 0.0 111.462 -177.517 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.428 ' O ' HG22 ' A' ' 61' ' ' VAL . 6.2 mpt_? -65.99 -52.49 48.96 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -179.391 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.475 ' O ' HG22 ' A' ' 62' ' ' VAL . 31.1 tt0 -66.42 -33.17 75.11 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.32 -179.415 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 23.1 tp -62.52 -43.63 98.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.01 0.433 . . . . 0.0 110.02 178.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.578 ' HA ' ' SG ' ' A' ' 63' ' ' CYS . 32.0 t70 -62.24 -39.32 92.47 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.162 178.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.428 HG22 ' O ' ' A' ' 57' ' ' ARG . 67.2 t -64.04 -46.42 93.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.083 178.699 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.475 HG22 ' O ' ' A' ' 58' ' ' GLU . 59.7 t -64.35 -41.84 93.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.577 -178.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.578 ' SG ' ' HA ' ' A' ' 60' ' ' ASP . 11.8 p -70.78 -30.47 66.95 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 119.932 -0.707 . . . . 0.0 110.613 -178.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.57 -47.83 62.31 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.386 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 22.4 ptp -63.07 -35.78 81.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.944 0.402 . . . . 0.0 110.215 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.5 mp -66.52 -39.27 83.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.641 177.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -66.16 -35.81 81.46 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.138 0.494 . . . . 0.0 110.319 179.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.74 -48.32 62.34 Favored Glycine 0 N--CA 1.443 -0.855 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.977 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.456 ' O ' ' HG ' ' A' ' 73' ' ' LEU . . . -67.06 -39.36 86.88 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.738 -0.231 . . . . 0.0 110.391 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.49 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 0.3 OUTLIER -57.96 -41.67 83.37 Favored 'General case' 0 C--O 1.215 -0.738 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 179.376 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.52 -42.5 93.58 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.55 -0.75 . . . . 0.0 112.505 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.71 -59.75 3.3 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 120.804 0.335 . . . . 0.0 111.402 -177.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 69' ' ' ALA . 4.5 pp -59.66 -34.55 72.98 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.703 -178.073 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.49 ' HB2' ' O ' ' A' ' 70' ' ' GLN . 0.2 OUTLIER -60.37 -53.05 62.23 Favored 'General case' 0 C--O 1.22 -0.451 0 O-C-N 123.312 0.382 . . . . 0.0 110.279 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -58.76 -36.36 74.25 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.169 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -68.98 -55.24 11.49 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.095 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.655 ' HB2' ' CE2' ' A' ' 90' ' ' TYR . 4.4 pp -61.0 -21.64 63.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.128 0.49 . . . . 0.0 112.014 -179.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 64.9 mmtt -74.81 -9.81 58.9 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.322 -179.184 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -50.98 -59.96 3.59 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.77 -176.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 17.6 m -159.16 72.95 0.57 Allowed 'General case' 0 C--O 1.239 0.511 0 CA-C-O 120.746 0.308 . . . . 0.0 111.351 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -76.91 53.92 0.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.929 -0.482 . . . . 0.0 112.117 177.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.437 ' O ' ' HB2' ' A' ' 83' ' ' ASN . 1.2 tm? -85.55 92.15 8.45 Favored 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 178.232 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.47 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 20.3 t-20 171.15 126.69 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.604 -176.355 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 58.5 mt -58.46 -40.71 79.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -177.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -71.64 -48.39 48.14 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -177.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.4 ' HB2' ' HB3' ' A' ' 83' ' ' ASN . 43.5 mt-10 -57.0 -44.56 82.87 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.911 179.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' ' 83' ' ' ASN . 48.8 mtm105 -61.49 -40.97 96.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.114 0.483 . . . . 0.0 111.115 -179.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -62.88 -44.18 96.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.38 178.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -65.97 -47.34 74.88 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.032 178.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.655 ' CE2' ' HB2' ' A' ' 77' ' ' LEU . 4.0 m-30 -54.75 -54.34 43.32 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.061 0.458 . . . . 0.0 110.839 177.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -58.1 -46.85 84.84 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.529 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -63.77 -47.75 79.71 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 121.096 -0.242 . . . . 0.0 111.45 -178.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.06 -46.4 82.49 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 120.603 0.24 . . . . 0.0 110.963 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.449 ' O ' ' HG3' ' A' ' 98' ' ' LYS . 28.5 mm-40 -64.68 -36.08 83.1 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.899 178.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.522 ' O ' HD11 ' A' ' 99' ' ' ILE . 86.0 m -59.03 -44.92 91.81 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.065 0.46 . . . . 0.0 109.76 177.067 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 79.3 mt -70.74 -37.29 73.46 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.897 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.461 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 50.1 m -59.5 -51.44 69.85 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.282 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 94' ' ' GLN . 52.8 mtmt -60.88 -42.79 98.62 Favored 'General case' 0 C--N 1.34 0.173 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.92 -178.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.522 HD11 ' O ' ' A' ' 95' ' ' THR . 1.6 mp -61.36 -43.14 96.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.746 179.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 79.1 mt -65.15 -45.67 84.04 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.967 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.501 ' O ' ' HG2' ' A' ' 105' ' ' LYS . 86.5 mt -58.01 -40.6 81.2 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.364 179.049 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -60.57 -48.11 83.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.172 177.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.15 -30.7 71.24 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.935 -0.306 . . . . 0.0 111.266 -177.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.46 -51.24 68.27 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.103 0.478 . . . . 0.0 110.018 175.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.501 ' HG2' ' O ' ' A' ' 101' ' ' LEU . 1.1 mmmp? -61.62 -30.48 70.72 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.902 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -68.13 -41.09 82.19 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.608 0.718 . . . . 0.0 109.235 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 48.9 m -62.9 -52.81 61.62 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.963 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.496 ' HG3' ' N ' ' A' ' 109' ' ' GLN . 5.0 pt-20 -54.11 -39.71 66.66 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 121.176 -0.21 . . . . 0.0 111.377 178.297 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.522 ' HA ' ' CD ' ' A' ' 112' ' ' LYS . 78.3 mt-30 -57.56 -40.38 78.81 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.932 178.308 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -68.9 -42.05 77.43 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.155 0.502 . . . . 0.0 110.919 178.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 82.5 t -59.22 -50.01 81.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.199 178.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.522 ' CD ' ' HA ' ' A' ' 109' ' ' GLN . 10.3 ptmt -72.31 -14.85 61.85 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.827 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -76.93 -28.73 55.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.346 177.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.425 HG13 ' HZ1' ' A' ' 47' ' ' LYS . 1.5 mp -72.23 119.85 19.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.866 0.841 . . . . 0.0 110.735 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.496 ' O ' ' HG2' ' A' ' 115' ' ' GLN . 15.4 pm0 -75.08 119.91 19.88 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 114.547 -1.206 . . . . 0.0 109.117 176.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.41 HG23 HG21 ' A' ' 114' ' ' ILE . 57.7 p -112.07 176.19 5.12 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 120.547 -0.461 . . . . 0.0 112.005 -179.266 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 10.3 tm0? . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.627 -0.702 . . . . 0.0 110.18 -177.546 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 . . . . . 0 N--CA 1.47 0.545 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -59.65 127.95 34.53 Favored 'General case' 0 CA--C 1.515 -0.381 0 O-C-N 123.226 0.329 . . . . 0.0 110.745 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -88.56 67.98 8.62 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 121.054 0.454 . . . . 0.0 111.586 -179.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 44.4 mttp -70.72 134.64 86.04 Favored Pre-proline 0 C--N 1.318 -0.79 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.939 177.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -61.78 93.13 0.12 Allowed 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.821 2.348 . . . . 0.0 113.056 -178.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.09 102.37 0.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.746 177.308 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.561 ' HG3' ' H ' ' A' ' 8' ' ' ASP . 20.7 tptm -91.73 -177.05 4.65 Favored 'General case' 0 N--CA 1.434 -1.26 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 177.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.561 ' H ' ' HG3' ' A' ' 7' ' ' LYS . 3.7 m-20 -57.55 154.03 11.98 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.84 0.352 . . . . 0.0 110.749 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -76.92 -15.43 59.67 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 120.904 0.383 . . . . 0.0 110.303 178.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -102.55 88.04 3.15 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 177.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -134.82 131.04 36.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.781 -178.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 63.09 21.92 13.14 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 123.571 0.544 . . . . 0.0 111.112 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -97.56 4.63 50.26 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.36 0.6 . . . . 0.0 109.822 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -54.37 150.09 9.27 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.301 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -50.27 -53.93 24.91 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.454 -176.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 57.97 87.24 0.07 Allowed 'General case' 0 N--CA 1.472 0.641 0 O-C-N 123.52 0.513 . . . . 0.0 110.515 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.509 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 1.8 pt? -156.66 90.23 1.15 Allowed 'General case' 0 N--CA 1.442 -0.852 0 CA-C-O 121.664 0.745 . . . . 0.0 109.944 -177.15 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.9 mp -62.99 -79.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.509 -0.768 . . . . 0.0 112.64 -175.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.444 HD12 ' CD1' ' A' ' 90' ' ' TYR . 22.0 mm -63.15 -31.34 52.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.534 -178.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.509 ' HB2' ' HB2' ' A' ' 17' ' ' LEU . 5.4 mm-40 -56.55 -47.5 79.32 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.489 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -69.25 -41.0 77.51 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.507 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.98 -47.39 74.67 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.174 176.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -61.44 -37.16 82.51 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.614 178.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 41.2 t-80 -71.69 -39.07 70.46 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.458 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.27 -45.51 84.22 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.6 pt -64.12 -33.81 64.77 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.145 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.456 179.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -62.11 -45.6 92.76 Favored 'General case' 0 C--O 1.244 0.798 0 CA-C-O 121.317 0.58 . . . . 0.0 109.528 175.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -65.61 -47.47 75.53 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.258 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.48 -43.73 98.47 Favored Glycine 0 C--O 1.222 -0.61 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.349 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.492 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 33.9 tt0 -57.54 -48.14 80.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.644 -0.278 . . . . 0.0 110.789 -179.46 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -67.42 -40.55 85.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.853 -177.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.47 -33.29 69.19 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 120.629 -0.429 . . . . 0.0 110.645 -179.264 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.476 HD21 HD21 ' A' ' 104' ' ' LEU . 1.9 tm? -67.04 -45.6 76.95 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 177.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 30' ' ' GLU . 97.3 mt -64.85 -34.64 78.86 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.937 179.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -68.62 -50.57 50.4 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.813 178.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.404 HD11 ' O ' ' A' ' 36' ' ' LEU . 1.7 tm? -62.33 -35.77 80.1 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.255 -178.282 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -61.95 -33.43 74.27 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -68.47 -42.91 78.04 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.867 176.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -59.03 -42.1 89.39 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.586 176.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 35.2 tp -52.05 -45.1 64.56 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.655 174.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -60.01 -39.19 84.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.273 0.558 . . . . 0.0 110.309 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -64.25 -41.25 97.05 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.197 179.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 34.6 tp -66.61 -32.07 73.17 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 120.745 0.307 . . . . 0.0 110.994 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.508 ' O ' ' HE3' ' A' ' 47' ' ' LYS . 12.3 m-80 -60.86 -37.09 80.92 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-O 121.083 0.468 . . . . 0.0 110.782 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -90.26 -40.36 12.2 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.958 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -77.94 -34.67 51.04 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -177.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.508 ' HE3' ' O ' ' A' ' 44' ' ' ASN . 31.9 mmtp 55.56 15.21 1.42 Allowed 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -178.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.0 t -64.23 122.46 16.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.566 0.222 . . . . 0.0 111.478 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.608 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -62.48 -40.67 97.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.22 178.946 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -60.6 -45.69 93.05 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 177.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.416 ' O ' HG13 ' A' ' 55' ' ' ILE . 50.9 tp -61.15 -40.27 93.21 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 177.593 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.604 ' OE1' HG21 ' A' ' 111' ' ' VAL . 4.6 tp60 -54.47 -52.7 61.05 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.126 176.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.467 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 20.3 mt-10 -58.58 -45.52 88.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.952 -178.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -63.54 -44.51 93.98 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.809 0.338 . . . . 0.0 111.542 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 51' ' ' LEU . 71.6 mt -63.18 -51.37 72.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.733 -178.551 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 16.3 tt -67.78 -35.45 72.54 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.587 -178.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.467 ' HB2' ' O ' ' A' ' 53' ' ' GLU . 3.9 mpt_? -66.09 -47.93 72.61 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.432 0.158 . . . . 0.0 111.271 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.49 -34.48 75.98 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.694 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 51.2 tp -63.46 -45.35 91.23 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.232 0.539 . . . . 0.0 109.912 178.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -61.81 -49.14 77.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.496 -0.775 . . . . 0.0 112.247 -178.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.5 p -62.27 -37.49 78.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 CA-C-O 120.782 0.325 . . . . 0.0 111.479 -178.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.9 t -72.11 -37.01 58.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.913 0.387 . . . . 0.0 110.005 178.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 46.8 t -64.83 -39.13 93.08 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.02 -48.1 69.4 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.75 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 21.1 ptp -63.04 -37.59 87.81 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.384 -179.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.4 mp -65.04 -42.39 94.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.743 178.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -66.07 -39.73 90.3 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-O 120.906 0.384 . . . . 0.0 110.995 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.91 -46.56 89.02 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.187 -179.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.36 -39.78 85.72 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -62.94 -46.21 88.83 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.866 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.05 -42.09 96.86 Favored Glycine 0 C--O 1.241 0.579 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.141 -177.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.02 -55.17 18.03 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.191 -0.504 . . . . 0.0 110.66 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.435 ' HG ' HD23 ' A' ' 77' ' ' LEU . 34.3 tp -58.27 -41.94 85.44 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.988 -179.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.406 ' OE1' HD12 ' A' ' 77' ' ' LEU . 1.4 mm-40 -54.14 -52.23 61.76 Favored 'General case' 0 C--O 1.223 -0.328 0 O-C-N 123.422 0.451 . . . . 0.0 111.06 178.328 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -58.58 -41.1 84.97 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.618 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -69.41 -55.34 10.6 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.641 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.435 HD23 ' HG ' ' A' ' 73' ' ' LEU . 4.2 pp -59.58 -24.24 63.6 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 120.67 0.272 . . . . 0.0 111.662 -179.106 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.413 ' N ' HD11 ' A' ' 77' ' ' LEU . 14.7 mmtp -70.56 -15.51 62.78 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-O 121.16 0.505 . . . . 0.0 111.083 -177.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -83.36 -24.76 31.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.656 178.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.628 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 5.3 m -94.11 -9.38 36.75 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 178.258 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -48.75 90.88 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 113.819 -1.537 . . . . 0.0 111.24 176.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.671 ' O ' ' HB2' ' A' ' 86' ' ' GLU . 4.3 pp -162.62 157.35 21.84 Favored 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 107.664 -1.235 . . . . 0.0 107.664 178.041 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 79.43 146.85 0.09 Allowed 'General case' 0 C--N 1.32 -0.702 0 O-C-N 123.669 0.606 . . . . 0.0 111.565 179.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.5 mm -58.51 -39.49 75.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.294 -0.866 . . . . 0.0 113.074 -176.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -76.19 -50.75 13.68 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.416 -176.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.671 ' HB2' ' O ' ' A' ' 82' ' ' LEU . 22.4 mm-40 -56.77 -47.42 80.17 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.956 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.488 ' C ' ' HD3' ' A' ' 87' ' ' ARG . 0.9 OUTLIER -61.05 -43.57 98.69 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.091 0.472 . . . . 0.0 110.349 -178.194 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -64.41 -43.5 94.2 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.751 179.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -60.5 -49.38 77.79 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.953 -179.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.444 ' CD1' HD12 ' A' ' 19' ' ' ILE . 6.8 m-30 -54.91 -47.79 73.89 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.923 178.225 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -58.56 -41.19 85.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.795 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -68.41 -51.2 46.53 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.981 -177.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.49 -39.54 84.11 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.027 0.441 . . . . 0.0 110.608 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.718 ' O ' ' HG2' ' A' ' 98' ' ' LYS . 36.2 tt0 -62.25 -40.85 97.56 Favored 'General case' 0 C--O 1.217 -0.625 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.555 177.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.537 ' O ' HG13 ' A' ' 99' ' ' ILE . 98.1 m -60.79 -45.45 94.36 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.222 179.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 89.7 mt -70.33 -41.1 73.68 Favored 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.076 -177.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 10.5 p -61.07 -39.75 91.07 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 121.108 0.48 . . . . 0.0 111.057 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.718 ' HG2' ' O ' ' A' ' 94' ' ' GLN . 74.2 mmtt -63.33 -35.96 82.1 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.5 178.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.537 HG13 ' O ' ' A' ' 95' ' ' THR . 80.8 mt -63.29 -43.53 98.7 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-O 121.099 0.476 . . . . 0.0 110.003 177.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.501 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 94.0 mt -63.64 -45.39 90.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.966 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.16 -45.04 92.04 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.964 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm -62.76 -43.73 98.03 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.155 178.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -67.23 -33.36 75.19 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.628 -179.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 100' ' ' LEU . 97.4 mt -61.04 -50.69 72.29 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 120.957 0.408 . . . . 0.0 109.974 176.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -63.48 -30.42 71.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.8 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -70.69 -39.81 73.28 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 177.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 57.0 m -68.11 -48.46 65.39 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.007 178.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.421 ' O ' HG13 ' A' ' 111' ' ' VAL . 27.9 tt0 -51.17 -48.02 62.0 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.197 0.522 . . . . 0.0 110.483 175.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -58.11 -41.91 84.61 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.252 178.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.64 -49.42 59.34 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-O 121.661 0.743 . . . . 0.0 111.115 -178.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.604 HG21 ' OE1' ' A' ' 52' ' ' GLN . 9.6 p -61.39 -43.41 96.64 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.643 -177.248 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.417 ' HA ' HE22 ' A' ' 52' ' ' GLN . 15.0 pttp -71.39 -18.6 62.35 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-O 120.761 0.315 . . . . 0.0 110.645 177.496 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -73.88 -22.62 59.66 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.06 178.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.459 HG22 HG21 ' A' ' 116' ' ' THR . 1.6 mp -73.12 121.87 24.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-O 121.371 0.605 . . . . 0.0 109.705 178.244 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -76.71 119.79 21.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.197 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.459 HG21 HG22 ' A' ' 114' ' ' ILE . 38.4 p -124.77 153.73 41.99 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.522 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.526 ' HB2' ' HD2' ' A' ' 49' ' ' LYS . 38.9 mt-30 . . . . . 0 C--O 1.241 0.623 0 CA-C-O 118.492 -0.766 . . . . 0.0 110.893 176.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 120.978 0.418 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -70.73 -35.9 72.92 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.36 -176.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -89.65 87.21 6.93 Favored 'General case' 0 C--N 1.315 -0.904 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.7 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -58.31 162.18 6.4 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.428 175.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -60.04 86.27 0.07 OUTLIER 'Trans proline' 0 CA--C 1.533 0.43 0 C-N-CA 122.781 2.32 . . . . 0.0 113.275 -178.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -56.98 119.65 6.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.945 177.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.543 ' HG2' ' H ' ' A' ' 8' ' ' ASP . 1.7 ttmp? -87.16 -165.09 1.2 Allowed 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.543 ' H ' ' HG2' ' A' ' 7' ' ' LYS . 25.6 t70 -68.67 166.37 17.42 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.595 0.235 . . . . 0.0 110.488 178.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -58.25 -39.35 78.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.037 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 55.1 t80 56.47 75.36 0.35 Allowed 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.697 -178.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.8 mmt180 -76.58 140.45 41.07 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.57 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -65.99 128.07 34.59 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 177.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.408 ' H ' ' CD ' ' A' ' 13' ' ' GLU . 1.6 pm0 -58.78 -45.33 90.06 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -177.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 42.8 t80 43.64 73.15 0.15 Allowed 'General case' 0 N--CA 1.469 0.479 0 O-C-N 124.008 0.817 . . . . 0.0 111.847 178.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -72.92 -20.36 61.09 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.055 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 71.9 t60 70.34 49.41 0.45 Allowed 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.811 177.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.496 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 4.5 mm? -99.83 173.82 6.5 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 175.138 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.3 mt -64.25 -73.9 0.11 Allowed 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 120.975 0.416 . . . . 0.0 111.41 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.464 HD12 ' CD1' ' A' ' 90' ' ' TYR . 39.7 mm -63.04 -25.21 38.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.705 -179.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.576 ' HA ' ' ND2' ' A' ' 23' ' ' ASN . 5.3 tp10 -62.23 -46.39 89.07 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.311 0.577 . . . . 0.0 110.427 178.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.455 ' HG3' ' O ' ' A' ' 17' ' ' LEU . 46.5 mt-30 -72.02 -25.95 62.02 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.519 179.522 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.61 -47.94 24.39 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.983 -178.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.576 ' ND2' ' HA ' ' A' ' 20' ' ' GLU . 6.9 p30 -66.68 -30.52 70.79 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.492 -178.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -71.0 -41.78 70.48 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.564 178.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.98 -47.59 79.8 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.426 HG12 ' HA ' ' A' ' 23' ' ' ASN . 33.9 pt -64.97 -31.99 56.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.177 -179.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -62.37 -46.25 89.5 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-O 121.202 0.525 . . . . 0.0 109.597 176.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -63.85 -39.63 94.67 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.007 177.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.95 -43.72 97.84 Favored Glycine 0 C--N 1.339 0.734 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.996 178.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -56.1 -46.01 79.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.445 0.641 . . . . 0.0 110.119 178.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 53.9 m170 -67.33 -47.36 70.73 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.826 -177.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.63 -26.43 63.48 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.457 -178.093 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.438 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 1.6 tm? -70.7 -50.19 39.04 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 178.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 pp -66.51 -25.52 66.73 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.464 0.65 . . . . 0.0 110.011 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 92.8 t80 -68.96 -56.98 6.15 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 114.959 -1.018 . . . . 0.0 110.351 178.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.8 mt -63.07 -30.93 71.98 Favored 'General case' 0 CA--C 1.522 -0.098 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.971 -178.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.438 ' HG3' ' O ' ' A' ' 33' ' ' LEU . 95.1 mt-30 -57.42 -38.26 74.08 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.084 0.469 . . . . 0.0 109.822 177.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 65.4 t-80 -64.96 -37.54 87.97 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.552 177.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -72.96 -40.54 65.26 Favored 'General case' 0 N--CA 1.441 -0.881 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.685 -178.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.0 tp -53.1 -43.48 66.87 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.462 173.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.572 ' HA ' ' ND2' ' A' ' 44' ' ' ASN . 19.6 t70 -58.06 -42.8 86.23 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.311 0.577 . . . . 0.0 110.53 177.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -67.3 -47.46 70.52 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.8 178.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 52' ' ' GLN . 7.7 tt -55.5 -50.65 69.38 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.997 0.919 . . . . 0.0 112.213 -179.207 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.572 ' ND2' ' HA ' ' A' ' 41' ' ' ASP . 11.8 p30 -62.83 -29.54 70.81 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-O 121.236 0.541 . . . . 0.0 111.752 -176.619 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -84.91 -42.11 15.31 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.86 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -75.94 -29.53 58.35 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 115.901 -0.59 . . . . 0.0 112.181 -177.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.469 ' HE3' ' O ' ' A' ' 44' ' ' ASN . 33.5 mmtp 55.32 15.62 1.43 Allowed 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 114.433 1.271 . . . . 0.0 114.433 179.035 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 66.2 m -69.03 123.52 21.25 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.583 ' O ' ' HB3' ' A' ' 52' ' ' GLN . 16.8 pttp -61.37 -46.21 91.16 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.5 0.72 . . . . 0.0 112.123 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 3.7 mt-10 -63.46 -42.12 98.63 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 120.483 0.182 . . . . 0.0 111.102 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 44.4 tp -60.84 -40.86 94.45 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 176.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.583 ' HB3' ' O ' ' A' ' 49' ' ' LYS . 6.8 tp60 -54.25 -50.7 66.6 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.614 177.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -59.43 -44.21 92.95 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.04 -178.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 43.6 mmtm -68.84 -44.54 73.19 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -178.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.5 mp -57.67 -49.61 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 CA-C-O 120.636 0.255 . . . . 0.0 111.137 -179.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 16.8 tt -66.95 -30.71 50.5 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.528 0 CA-C-O 121.013 0.435 . . . . 0.0 110.662 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.464 ' HD2' ' HA ' ' A' ' 57' ' ' ARG . 18.2 tpt85 -66.94 -52.65 40.38 Favored 'General case' 0 N--CA 1.426 -1.668 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.623 -178.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.401 ' O ' HG23 ' A' ' 62' ' ' VAL . 35.4 mt-10 -67.41 -32.08 72.72 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.421 -0.512 . . . . 0.0 111.105 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 46.2 tp -63.45 -44.6 94.03 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 121.027 0.441 . . . . 0.0 109.996 178.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.499 ' HA ' ' SG ' ' A' ' 63' ' ' CYS . 28.3 t70 -59.79 -43.46 94.41 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.278 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 66.4 t -62.59 -48.08 89.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.926 0.394 . . . . 0.0 111.477 178.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 58' ' ' GLU . 93.7 t -65.41 -42.5 93.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.918 -178.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.499 ' SG ' ' HA ' ' A' ' 60' ' ' ASP . 24.6 p -66.16 -32.41 73.83 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 119.985 -0.686 . . . . 0.0 110.554 -178.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.0 -51.75 55.52 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.371 177.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 22.9 ptp -63.12 -37.92 89.12 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.916 -178.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.464 ' O ' ' HB2' ' A' ' 70' ' ' GLN . 1.4 mp -65.25 -46.09 91.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.355 179.351 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -69.37 -35.76 76.15 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -178.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.61 -48.23 69.82 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.275 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.01 -37.91 78.96 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.474 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 5.7 tt0 -60.18 -44.59 94.94 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-O 121.366 0.603 . . . . 0.0 109.727 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -68.94 -42.64 77.27 Favored Glycine 0 C--O 1.241 0.569 0 CA-C-N 115.052 -0.976 . . . . 0.0 112.86 -178.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.58 -54.35 29.08 Favored 'General case' 0 C--O 1.244 0.788 0 CA-C-O 121.112 0.482 . . . . 0.0 110.82 -177.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.481 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 35.0 tp -60.1 -40.22 88.9 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.298 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.557 ' OE2' HD13 ' A' ' 77' ' ' LEU . 1.6 mm-40 -54.48 -52.38 62.08 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.979 0.419 . . . . 0.0 110.939 179.245 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -57.4 -41.71 80.82 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.743 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -70.33 -56.18 7.35 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.761 -178.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.557 HD13 ' OE2' ' A' ' 74' ' ' GLU . 3.9 pp -60.09 -22.92 63.36 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -178.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.481 ' N ' HD12 ' A' ' 77' ' ' LEU . 30.5 mmtm -69.24 -11.38 60.75 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -178.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 73.2 ttt-85 -56.32 -49.05 75.45 Favored 'General case' 0 N--CA 1.46 0.068 0 CA-C-O 120.766 0.317 . . . . 0.0 111.115 -178.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 22.8 m -120.54 109.91 15.83 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -136.16 22.73 3.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.897 0.38 . . . . 0.0 110.373 -178.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.8 tp -79.58 -22.47 43.7 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-O 121.704 0.764 . . . . 0.0 111.527 -177.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.483 ' HB3' ' HG2' ' A' ' 86' ' ' GLU . 2.5 t30 -76.51 132.24 39.45 Favored 'General case' 0 C--N 1.277 -2.576 0 CA-C-N 114.86 -1.064 . . . . 0.0 111.048 -176.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 63.5 mt -56.34 -44.39 79.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -175.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.32 -44.07 84.43 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 -178.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.483 ' HG2' ' HB3' ' A' ' 83' ' ' ASN . 23.7 mm-40 -60.46 -40.65 91.94 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.587 -179.629 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.471 ' HG3' ' O ' ' A' ' 83' ' ' ASN . 33.6 mtp180 -57.67 -51.89 67.66 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-O 121.516 0.675 . . . . 0.0 110.245 177.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -60.14 -43.07 95.99 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 114.615 -1.175 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.73 -50.05 68.43 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.234 -178.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.464 ' CD1' HD12 ' A' ' 19' ' ' ILE . 10.2 m-30 -55.58 -49.64 72.2 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.856 177.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.56 -49.46 72.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.331 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -68.14 -40.56 82.41 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -177.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.83 -46.69 86.77 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 120.746 0.308 . . . . 0.0 110.549 -178.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.406 ' HA ' ' OG ' ' A' ' 97' ' ' SER . 6.0 tp-100 -65.62 -32.29 73.78 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.183 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.459 ' O ' HG13 ' A' ' 99' ' ' ILE . 86.7 m -61.39 -47.39 86.01 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.655 176.066 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 88.2 mt -68.45 -38.31 81.01 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.751 -0.204 . . . . 0.0 111.528 -178.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.461 ' HB2' ' OE1' ' A' ' 70' ' ' GLN . 11.5 p -61.5 -43.33 99.07 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 120.962 0.411 . . . . 0.0 111.168 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -61.66 -37.39 83.87 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.704 177.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 95' ' ' THR . 89.4 mt -63.83 -47.71 89.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 CA-C-O 121.091 0.472 . . . . 0.0 110.064 178.125 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 97.3 mt -61.3 -46.01 92.08 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.684 -179.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.42 ' O ' ' HD2' ' A' ' 105' ' ' LYS . 4.0 mm? -62.22 -41.16 98.13 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.835 179.293 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -56.39 -52.16 65.66 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 176.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.56 -37.01 82.27 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -179.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 97.3 mt -64.96 -50.72 65.27 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 118.202 0.455 . . . . 0.0 109.999 176.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.645 ' O ' ' HG3' ' A' ' 109' ' ' GLN . 1.0 OUTLIER -58.7 -34.38 71.23 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.086 178.178 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.539 ' O ' ' HD3' ' A' ' 110' ' ' LYS . 42.9 tt0 -66.58 -39.39 88.43 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.922 0.392 . . . . 0.0 110.098 177.197 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.47 ' O ' HG22 ' A' ' 111' ' ' VAL . 63.5 m -61.11 -53.92 51.06 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.534 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -55.37 -37.96 68.21 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 111.565 0.209 . . . . 0.0 111.565 178.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.645 ' HG3' ' O ' ' A' ' 105' ' ' LYS . 97.9 mt-30 -56.63 -47.82 78.85 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 120.872 0.368 . . . . 0.0 110.332 176.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.539 ' HD3' ' O ' ' A' ' 106' ' ' GLU . 12.7 mptt -68.01 -41.05 82.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.27 -178.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.47 HG22 ' O ' ' A' ' 107' ' ' THR . 80.9 t -57.47 -53.24 46.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.048 177.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -65.74 -20.37 66.25 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.321 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -71.99 -30.57 65.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.966 179.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.477 HG12 ' HA ' ' A' ' 44' ' ' ASN . 1.7 mp -72.82 119.26 19.31 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 CA-C-O 121.486 0.66 . . . . 0.0 110.642 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -74.89 123.82 25.77 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.627 176.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.444 HG21 HG23 ' A' ' 114' ' ' ILE . 34.0 p -126.01 157.15 38.61 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 178.427 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.475 ' HB2' ' HD3' ' A' ' 49' ' ' LYS . 14.8 mm100 . . . . . 0 C--N 1.323 -0.566 0 CA-C-O 118.666 -0.683 . . . . 0.0 111.395 177.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 . . . . . 0 N--CA 1.479 1.004 0 CA-C-O 120.736 0.303 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -65.89 -50.69 63.59 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.996 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -114.97 161.37 18.41 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.01 177.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -125.83 155.9 72.11 Favored Pre-proline 0 C--N 1.316 -0.865 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 -178.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -64.02 -103.58 0.0 OUTLIER 'Trans proline' 0 CA--C 1.548 1.176 0 C-N-CA 122.479 2.12 . . . . 0.0 113.423 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -102.51 179.01 4.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.019 -0.425 . . . . 0.0 110.685 177.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.415 ' HZ1' ' CG ' ' A' ' 8' ' ' ASP . 19.2 pttp -73.14 -30.1 63.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.074 0.464 . . . . 0.0 111.196 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.415 ' CG ' ' HZ1' ' A' ' 7' ' ' LYS . 15.4 m-20 -94.35 -175.09 3.54 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.564 -176.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -101.62 26.49 7.3 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 -179.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 61.81 38.26 14.91 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 121.807 0.813 . . . . 0.0 108.841 -175.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -163.32 131.88 3.85 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-N 114.532 -1.213 . . . . 0.0 108.263 -176.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -101.23 139.54 36.76 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -67.76 -43.32 80.11 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.344 178.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 75.19 -23.94 0.23 Allowed 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 175.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -52.8 -60.7 2.94 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 -177.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 34.3 m80 52.48 37.49 22.99 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 123.404 0.44 . . . . 0.0 111.885 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -98.83 151.68 20.55 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.5 mt -59.73 -46.07 90.26 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.141 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.6 mm -68.12 -43.63 84.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.216 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.02 -42.7 76.87 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-O 120.941 0.4 . . . . 0.0 110.989 177.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -63.65 -50.96 67.25 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.418 178.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.74 -38.86 82.89 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.433 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -59.72 -36.34 76.36 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.586 179.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -70.0 -43.6 71.06 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.326 178.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.67 -44.17 87.11 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -178.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 36.8 pt -66.07 -37.13 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.114 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.995 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -62.91 -41.04 99.32 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 176.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -68.64 -47.22 67.15 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.514 ' O ' ' HG3' ' A' ' 32' ' ' GLN . . . -60.74 -42.9 99.6 Favored Glycine 0 C--O 1.224 -0.489 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.541 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.548 ' O ' HD22 ' A' ' 34' ' ' LEU . 28.7 tt0 -60.79 -44.39 96.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.224 0.535 . . . . 0.0 110.263 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -62.31 -44.19 97.08 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.003 -178.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.514 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -70.47 -23.62 62.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.814 179.812 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.488 HD11 ' OD1' ' A' ' 103' ' ' ASP . 2.5 tm? -68.79 -46.39 68.83 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 177.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.548 HD22 ' O ' ' A' ' 30' ' ' GLU . 4.1 mm? -64.93 -28.48 69.56 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.565 0.698 . . . . 0.0 109.469 177.211 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -69.51 -58.74 3.59 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.747 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.7 mt -63.79 -33.45 75.7 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.873 -178.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -58.42 -36.0 72.94 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 120.882 0.372 . . . . 0.0 110.069 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -68.78 -40.76 79.5 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.353 176.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -58.96 -41.82 88.41 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.742 176.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.1 tp -52.02 -47.61 64.91 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.876 173.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -57.32 -39.45 75.85 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.087 0.47 . . . . 0.0 110.699 178.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -67.31 -44.31 79.51 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.492 -0.777 . . . . 0.0 109.89 177.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 46.5 tp -54.69 -38.03 66.5 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.091 -0.959 . . . . 0.0 111.189 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -57.59 -36.01 71.17 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.232 0.539 . . . . 0.0 111.055 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -82.15 -46.65 13.51 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.157 -178.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -78.22 -36.71 46.82 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -175.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp 62.04 21.94 12.73 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 -174.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.7 t -64.29 116.83 6.42 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.294 -177.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.642 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -60.68 -37.59 82.11 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.415 176.357 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.445 ' CD ' ' HE2' ' A' ' 49' ' ' LYS . 5.2 mp0 -64.82 -45.29 86.81 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.722 178.484 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 49.4 tp -63.06 -40.02 96.46 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 177.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.13 -48.64 79.62 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.974 176.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -56.2 -49.68 73.38 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 123.777 0.831 . . . . 0.0 111.349 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -62.41 -46.31 89.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.219 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.424 HG21 HG13 ' A' ' 111' ' ' VAL . 81.4 mt -61.75 -50.21 81.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.724 -178.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 22.7 mm -58.4 -46.16 89.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-O 120.825 0.345 . . . . 0.0 110.866 178.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -67.42 -51.33 53.09 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -176.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.428 ' O ' HG22 ' A' ' 62' ' ' VAL . 44.3 mt-10 -70.01 -34.74 73.68 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 120.222 -0.591 . . . . 0.0 111.934 -178.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 23.5 tp -64.62 -46.31 83.13 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 178.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -60.94 -45.44 94.71 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.869 -179.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 31.2 m -64.52 -37.84 81.08 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.178 -178.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.49 HG13 ' NE2' ' A' ' 32' ' ' GLN . 91.2 t -70.27 -39.06 76.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 177.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.461 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 94.3 m -61.12 -41.96 97.66 Favored 'General case' 0 C--O 1.219 -0.511 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.036 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.62 -49.69 67.78 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.621 -178.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 22.5 ptp -66.63 -34.69 78.44 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.757 -179.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.4 mp -68.42 -43.9 83.75 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.581 177.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 63' ' ' CYS . 51.4 mt-10 -64.54 -34.54 78.47 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 121.226 0.536 . . . . 0.0 109.729 178.361 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.35 -45.86 82.81 Favored Glycine 0 N--CA 1.435 -1.41 0 CA-C-N 115.192 -0.913 . . . . 0.0 112.053 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.548 ' O ' ' HG ' ' A' ' 73' ' ' LEU . . . -72.02 -46.42 57.18 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.929 -0.136 . . . . 0.0 111.192 -179.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -39.16 87.84 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-O 120.878 0.37 . . . . 0.0 110.159 -177.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -68.86 -41.59 82.04 Favored Glycine 0 C--O 1.239 0.424 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.036 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.56 -55.9 15.21 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.968 -0.616 . . . . 0.0 111.133 -178.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.644 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 4.3 pp -63.55 -35.28 79.97 Favored 'General case' 0 C--O 1.206 -1.206 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.571 -178.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.48 ' N ' HD11 ' A' ' 73' ' ' LEU . 9.3 tp10 -56.27 -53.39 57.75 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 121.318 0.58 . . . . 0.0 110.287 178.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 -60.89 -38.93 87.39 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.079 -179.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -73.6 -54.9 7.09 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.393 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.644 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 3.9 pp -58.51 -24.38 60.38 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -178.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.448 ' N ' HD13 ' A' ' 77' ' ' LEU . 12.0 mmtp -70.78 -20.06 62.64 Favored 'General case' 0 N--CA 1.437 -1.121 0 C-N-CA 119.897 -0.721 . . . . 0.0 111.487 -177.169 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -88.05 -35.23 17.65 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.24 178.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 21.4 p -78.03 -3.36 41.74 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.96 -178.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -66.67 116.2 7.34 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-O 120.77 0.319 . . . . 0.0 111.203 178.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.545 ' O ' ' HB2' ' A' ' 83' ' ' ASN . 0.6 OUTLIER -156.02 72.41 0.77 Allowed 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 175.341 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.545 ' HB2' ' O ' ' A' ' 82' ' ' LEU . 10.6 t-20 167.3 136.66 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.178 -177.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 50.4 mm -58.29 -35.77 55.04 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.554 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 54.8 tp -70.58 -50.19 39.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.284 -178.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.17 -37.86 78.39 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.212 179.244 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 18.8 tpp85 -57.36 -49.75 75.17 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.252 0.549 . . . . 0.0 109.751 177.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -61.49 -44.35 97.23 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.58 179.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -58.79 -52.83 64.02 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.938 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 8.6 m-30 -55.52 -54.25 46.3 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.269 179.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.78 -37.94 80.48 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.319 -179.248 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -66.49 -47.18 73.85 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.556 178.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.2 -41.0 87.5 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 120.89 0.376 . . . . 0.0 110.518 178.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.521 ' O ' ' HG2' ' A' ' 98' ' ' LYS . 34.6 tt0 -61.0 -40.79 94.88 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.823 177.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.468 ' O ' HG13 ' A' ' 99' ' ' ILE . 79.9 m -60.7 -50.2 74.44 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.107 178.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.418 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 86.9 mt -68.54 -40.12 80.82 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.27 -176.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.459 ' O ' HD23 ' A' ' 101' ' ' LEU . 16.6 p -60.74 -49.72 76.36 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -177.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 94' ' ' GLN . 59.1 pttt -65.64 -30.46 71.17 Favored 'General case' 0 C--N 1.338 0.09 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.215 -178.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 95' ' ' THR . 74.8 mt -64.37 -43.06 97.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-O 121.145 0.498 . . . . 0.0 109.698 175.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 96' ' ' LEU . 94.2 mt -62.17 -44.36 96.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.361 179.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.459 HD23 ' O ' ' A' ' 97' ' ' SER . 4.3 mm? -55.98 -40.29 73.07 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.711 178.131 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 98' ' ' LYS . 51.3 mtmt -67.85 -35.89 79.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.403 179.28 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.488 ' OD1' HD11 ' A' ' 33' ' ' LEU . 4.6 t70 -70.51 -35.49 73.23 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.055 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 11.0 mp -63.95 -43.67 95.13 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 176.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.528 ' HA ' ' HG2' ' A' ' 108' ' ' GLU . 73.3 mmtt -63.24 -30.26 71.44 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.646 178.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -68.06 -40.72 82.73 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 176.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 26.1 m -65.74 -53.91 34.26 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.584 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.528 ' HG2' ' HA ' ' A' ' 105' ' ' LYS . 9.3 pt-20 -56.38 -37.29 69.88 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.343 178.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -57.17 -49.61 75.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.01 0.433 . . . . 0.0 110.737 177.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 35.5 mttp -64.19 -40.86 96.99 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -177.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.424 HG13 HG21 ' A' ' 55' ' ' ILE . 32.5 m -66.11 -34.92 73.44 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 C-N-CA 120.33 -0.548 . . . . 0.0 109.859 179.114 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -72.36 -18.13 61.77 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.727 175.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -76.21 -28.66 57.3 Favored 'General case' 0 CA--C 1.506 -0.714 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.717 177.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.7 mp -76.4 112.07 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.133 0.492 . . . . 0.0 110.083 176.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -69.01 126.41 29.72 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.655 176.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 36.8 p -116.47 175.72 5.43 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.341 -178.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 . . . . . 0 C--O 1.253 1.289 0 O-C-N 124.173 0.921 . . . . 0.0 111.603 179.791 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 . . . . . 0 N--CA 1.483 1.224 0 CA-C-O 120.821 0.343 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 21.8 mp0 -63.15 141.31 58.81 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.124 -178.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -106.98 104.37 14.02 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 177.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.405 ' HD2' ' N ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -73.96 144.92 83.1 Favored Pre-proline 0 C--N 1.317 -0.823 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.7 -177.605 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -76.43 81.23 2.54 Favored 'Trans proline' 0 N--CA 1.452 -0.953 0 C-N-CA 122.514 2.143 . . . . 0.0 110.863 175.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.489 ' HG3' ' HD3' ' A' ' 7' ' ' LYS . 2.1 tppp? -100.35 169.42 9.12 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 -176.243 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.566 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 0.2 OUTLIER -79.34 80.74 5.68 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 121.326 0.584 . . . . 0.0 111.539 -179.239 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -166.01 174.23 9.63 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.29 0.567 . . . . 0.0 112.144 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -68.19 -12.65 61.32 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -175.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -75.09 140.76 43.68 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.092 -0.643 . . . . 0.0 110.432 -178.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -154.22 161.69 41.66 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.914 -0.772 . . . . 0.0 108.914 -177.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -84.91 155.85 21.49 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.888 -179.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -131.44 -81.64 0.52 Allowed 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.708 -178.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -85.77 23.95 1.33 Allowed 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.944 0.402 . . . . 0.0 111.665 -176.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -72.3 -20.73 61.45 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.876 178.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.443 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 46.6 m-70 -93.4 -179.83 5.17 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 177.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.45 HD21 ' HB2' ' A' ' 20' ' ' GLU . 19.1 tp 177.19 109.63 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 178.269 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.494 HD13 ' HA ' ' A' ' 77' ' ' LEU . 16.1 mt -55.78 -55.71 29.09 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.926 -177.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.535 HD13 ' CD1' ' A' ' 90' ' ' TYR . 14.7 mm -57.91 -35.3 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.347 179.036 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.45 ' HB2' HD21 ' A' ' 17' ' ' LEU . 16.1 tp10 -59.12 -47.4 85.4 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.758 -179.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -72.8 -25.76 61.27 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 121.038 0.447 . . . . 0.0 111.292 -178.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.34 -45.08 41.73 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 121.497 0.665 . . . . 0.0 109.278 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -64.49 -29.85 70.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.453 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -74.66 -45.34 45.32 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.539 178.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.73 -45.69 92.86 Favored 'General case' 0 CA--C 1.523 -0.091 0 N-CA-C 111.622 0.23 . . . . 0.0 111.622 179.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.5 pt -66.5 -32.37 57.74 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.173 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.572 179.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -61.72 -46.42 89.75 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 175.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -63.46 -44.99 92.9 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.014 178.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.62 -44.18 97.07 Favored Glycine 0 C--O 1.221 -0.666 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.357 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.445 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 36.0 tt0 -60.14 -44.86 94.62 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.302 0.572 . . . . 0.0 110.565 -179.269 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -65.79 -49.99 66.32 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.114 -178.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -29.71 69.66 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.037 -179.216 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.705 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 2.0 tm? -68.43 -50.09 55.25 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 177.517 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 30' ' ' GLU . 98.7 mt -64.31 -35.95 82.54 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.955 0.407 . . . . 0.0 110.502 -177.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -66.3 -49.4 67.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.523 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.4 tt -62.96 -31.12 72.16 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.822 -179.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.705 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 14.2 mm-40 -58.16 -33.14 68.88 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.054 0.455 . . . . 0.0 110.266 177.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -71.81 -31.76 66.89 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.226 179.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.43 ' O ' ' HB3' ' A' ' 42' ' ' GLU . 28.1 mm-40 -72.28 -41.36 66.76 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.132 0.491 . . . . 0.0 110.285 178.068 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -52.01 -46.29 64.89 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.549 174.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -58.57 -41.27 85.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.085 178.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.43 ' HB3' ' O ' ' A' ' 39' ' ' GLN . 4.7 tp10 -61.45 -43.39 98.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.898 179.301 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.409 ' CD2' HG21 ' A' ' 111' ' ' VAL . 48.5 tp -64.73 -31.61 72.92 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 120.769 0.318 . . . . 0.0 111.021 -177.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -60.26 -38.21 82.8 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -88.14 -40.65 13.58 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.607 -178.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.432 ' OD1' ' HB2' ' A' ' 48' ' ' SER . 4.7 t-20 -74.66 -36.36 62.83 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -176.047 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.443 ' O ' HG23 ' A' ' 116' ' ' THR . 0.1 OUTLIER 55.0 16.59 1.55 Allowed 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -177.308 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.432 ' HB2' ' OD1' ' A' ' 46' ' ' ASN . 31.2 t -67.63 128.21 35.62 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 179.045 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.585 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -64.27 -41.55 96.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.924 176.115 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.501 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 42.2 mt-10 -62.38 -42.94 99.8 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.56 177.185 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 38.8 tp -62.04 -39.5 92.54 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 177.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.547 ' HB3' ' O ' ' A' ' 49' ' ' LYS . 2.9 tp-100 -53.76 -50.75 65.35 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.229 175.055 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.525 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 14.6 mm-40 -59.28 -50.35 74.33 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.177 -179.096 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.501 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 32.4 mmtp -62.25 -43.95 97.67 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.659 0.266 . . . . 0.0 110.844 -178.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 63.4 mt -61.88 -50.67 79.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.533 -179.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 15.0 tt -69.12 -33.86 60.64 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.364 -178.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.525 ' HB2' ' O ' ' A' ' 53' ' ' GLU . 0.6 OUTLIER -67.91 -48.78 65.02 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.006 -179.672 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -68.22 -32.67 73.05 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.456 178.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 48.6 tp -61.58 -47.61 84.7 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 177.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -64.0 -49.57 71.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.432 -0.803 . . . . 0.0 112.611 -177.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 34.5 m -61.84 -39.04 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.692 -177.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 98.0 t -72.35 -37.01 56.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 178.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 47.8 t -63.15 -43.95 96.89 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.263 178.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.53 -49.26 67.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.604 -177.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 21.2 ptp -61.34 -35.86 78.58 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.401 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.3 mp -68.94 -40.85 81.55 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.79 178.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -64.57 -40.38 95.46 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 120.888 0.375 . . . . 0.0 110.494 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.02 -48.19 61.43 Favored Glycine 0 N--CA 1.444 -0.822 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.62 -179.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.16 -39.5 82.59 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.582 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 27.0 tt0 -60.72 -42.76 97.91 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-O 121.135 0.493 . . . . 0.0 109.717 179.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.8 -41.13 93.78 Favored Glycine 0 C--O 1.241 0.54 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.983 -178.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.65 -56.7 9.46 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.13 0.491 . . . . 0.0 110.309 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.537 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 57.0 tp -56.32 -43.64 79.18 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.397 -179.461 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.582 ' HB2' ' O ' ' A' ' 70' ' ' GLN . 1.8 tm-20 -54.16 -51.4 64.46 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.228 0.537 . . . . 0.0 110.49 179.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -59.65 -41.95 91.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.002 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -70.5 -54.4 12.37 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -178.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 3.6 pp -56.83 -22.63 37.98 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.441 ' N ' HD12 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -66.63 -9.65 37.91 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -178.395 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 15.7 mmm-85 -60.2 -34.34 73.5 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.842 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.8 t -138.02 107.03 5.99 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.014 0.435 . . . . 0.0 111.303 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -136.83 11.35 3.13 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.565 ' O ' ' HB2' ' A' ' 83' ' ' ASN . 1.0 OUTLIER -91.78 108.52 19.97 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -178.198 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.565 ' HB2' ' O ' ' A' ' 82' ' ' LEU . 20.6 t-20 157.24 145.27 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.713 0 O-C-N 124.267 0.979 . . . . 0.0 108.701 -176.176 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 61.3 mt -60.42 -44.71 96.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -179.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.7 tt -72.93 -45.03 60.36 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 -178.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.454 ' HB2' ' HB3' ' A' ' 83' ' ' ASN . 45.0 mt-10 -59.98 -40.57 89.58 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.287 179.007 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.4 tpp180 -54.15 -52.51 60.91 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 120.999 0.428 . . . . 0.0 110.286 176.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -60.77 -50.29 74.06 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.867 -178.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.54 -53.98 50.94 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -177.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.535 ' CD1' HD13 ' A' ' 19' ' ' ILE . 4.6 m-85 -55.33 -51.48 66.62 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.956 0.407 . . . . 0.0 111.396 179.125 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -55.28 -50.72 68.8 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.904 179.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.75 -44.49 89.93 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.168 -176.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.59 -43.02 98.17 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-O 121.092 0.473 . . . . 0.0 110.769 -178.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -66.79 -35.71 80.7 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.835 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.429 ' O ' HG13 ' A' ' 99' ' ' ILE . 90.1 m -56.84 -44.1 81.78 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.224 176.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 86.0 mt -69.2 -34.52 75.02 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.023 -179.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.415 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 37.2 m -57.17 -51.38 69.56 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.629 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -62.51 -37.16 84.96 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.679 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 95' ' ' THR . 81.0 mt -65.63 -46.49 89.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.939 0.399 . . . . 0.0 110.456 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 95.5 mt -61.47 -45.61 93.53 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.108 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 97' ' ' SER . 97.1 mt -63.56 -40.33 96.71 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.707 179.522 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.437 ' C ' ' HD2' ' A' ' 102' ' ' LYS . 5.4 tmmm? -65.47 -43.87 88.93 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.469 179.456 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -69.31 -34.32 74.48 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 -178.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 29.3 tp -63.39 -45.98 88.54 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.138 0.494 . . . . 0.0 109.862 177.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -60.64 -29.43 69.26 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.443 176.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.579 ' O ' ' HG2' ' A' ' 110' ' ' LYS . 0.7 OUTLIER -66.62 -36.67 83.14 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 176.243 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 10.0 m -65.46 -47.08 77.33 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 177.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -51.2 -47.42 62.25 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.388 0.613 . . . . 0.0 109.941 175.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.529 ' HA ' ' HE2' ' A' ' 112' ' ' LYS . 21.0 tt0 -61.04 -42.4 98.4 Favored 'General case' 0 N--CA 1.437 -1.108 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.744 178.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.579 ' HG2' ' O ' ' A' ' 106' ' ' GLU . 11.6 mmpt? -65.09 -48.06 75.03 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.864 0.364 . . . . 0.0 111.616 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.409 HG21 ' CD2' ' A' ' 43' ' ' LEU . 9.7 p -63.24 -43.04 98.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 -178.187 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.529 ' HE2' ' HA ' ' A' ' 109' ' ' GLN . 43.0 pttt -74.05 -15.29 61.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.921 0.391 . . . . 0.0 110.948 178.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -78.55 -27.38 45.84 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.976 177.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.5 mp -73.15 121.0 22.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 CA-C-O 121.414 0.626 . . . . 0.0 110.84 178.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -77.1 118.91 20.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.389 176.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.443 HG23 ' O ' ' A' ' 47' ' ' LYS . 3.0 p -122.38 -165.99 1.36 Allowed 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 178.299 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.486 ' HB3' ' HD2' ' A' ' 49' ' ' LYS . 19.5 tp60 . . . . . 0 C--O 1.247 0.948 0 CA-C-O 118.605 -0.712 . . . . 0.0 109.801 178.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 . . . . . 0 N--CA 1.472 0.653 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -87.59 139.87 30.09 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 178.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -75.63 72.12 2.57 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.561 0.696 . . . . 0.0 110.779 179.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -121.53 139.42 29.79 Favored Pre-proline 0 C--N 1.315 -0.894 0 CA-C-N 115.041 -0.981 . . . . 0.0 112.023 -178.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -79.63 38.66 0.75 Allowed 'Trans proline' 0 CA--C 1.533 0.463 0 C-N-CA 123.479 2.786 . . . . 0.0 110.608 175.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.4 ttmm -59.66 -58.62 7.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.761 0.315 . . . . 0.0 111.287 -177.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -173.95 166.43 4.32 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -58.85 126.07 26.16 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 178.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -71.99 -25.34 61.81 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.224 0.535 . . . . 0.0 110.243 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -68.62 118.14 11.25 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.038 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 63.5 mtm180 -113.67 100.64 8.63 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.232 -177.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -127.83 114.68 17.54 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.604 178.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -60.15 -53.46 57.43 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 -178.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -162.65 142.85 9.57 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 178.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -53.97 -57.71 9.99 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 120.8 0.334 . . . . 0.0 111.685 -177.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -162.77 156.54 20.44 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.437 ' HB3' ' HG2' ' A' ' 20' ' ' GLU . 2.0 tt 173.64 109.22 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -175.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.443 HD12 ' N ' ' A' ' 19' ' ' ILE . 0.9 OUTLIER -54.32 -35.66 62.92 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 -175.761 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.443 ' N ' HD12 ' A' ' 18' ' ' LEU . 8.5 mm -69.53 -39.44 78.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 C-N-CA 120.482 -0.487 . . . . 0.0 111.141 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.437 ' HG2' ' HB3' ' A' ' 17' ' ' LEU . 5.6 mm-40 -67.5 -29.41 68.83 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.014 0.435 . . . . 0.0 110.249 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 17' ' ' LEU . 28.2 mm-40 -67.81 -39.91 83.89 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.692 177.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.08 -37.73 57.87 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 121.707 0.765 . . . . 0.0 110.101 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -62.56 -35.36 79.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.609 -1.178 . . . . 0.0 109.694 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -69.72 -42.71 73.63 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.049 177.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.98 -45.83 93.21 Favored 'General case' 0 C--O 1.225 -0.202 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 35.0 pt -64.23 -37.82 80.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.999 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -60.84 -42.03 96.97 Favored 'General case' 0 C--O 1.245 0.861 0 CA-C-O 121.471 0.653 . . . . 0.0 109.316 176.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -65.83 -51.23 60.62 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.465 177.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.32 -44.41 89.56 Favored Glycine 0 C--O 1.224 -0.517 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.856 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -59.18 -43.32 92.15 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.183 0.516 . . . . 0.0 110.351 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.419 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 2.0 t60 -69.23 -47.49 64.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.839 -177.474 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.72 -28.66 64.9 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.364 -178.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.428 HD23 HD22 ' A' ' 104' ' ' LEU . 1.9 tm? -65.77 -48.57 71.39 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 176.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 31' ' ' HIS . 4.6 pp -67.03 -28.1 67.94 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.531 -0.467 . . . . 0.0 110.511 -179.066 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -67.79 -57.65 5.94 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.594 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -63.31 -31.2 72.29 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.106 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -62.82 -36.98 84.95 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 121.203 0.525 . . . . 0.0 109.76 178.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 48.5 t60 -65.76 -46.63 78.09 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 175.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -55.54 -44.39 76.68 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.516 176.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 31.6 tp -50.94 -48.86 60.72 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 123.413 0.685 . . . . 0.0 111.277 176.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -57.3 -41.56 80.07 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.805 0.336 . . . . 0.0 110.742 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -66.15 -43.3 87.4 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.515 0.674 . . . . 0.0 109.337 178.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.9 tp -56.64 -39.27 73.39 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.944 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.527 ' O ' ' HE3' ' A' ' 47' ' ' LYS . 10.6 m120 -57.59 -36.41 71.7 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.07 0.462 . . . . 0.0 111.013 178.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -82.87 -45.58 14.07 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.546 -178.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.485 ' HB3' ' OG ' ' A' ' 48' ' ' SER . 4.3 m-20 -76.25 -37.01 58.21 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -174.343 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.527 ' HE3' ' O ' ' A' ' 44' ' ' ASN . 31.3 mmtp 56.64 22.7 7.0 Favored 'General case' 0 N--CA 1.489 1.475 0 CA-C-O 121.627 0.727 . . . . 0.0 109.617 -175.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.485 ' OG ' ' HB3' ' A' ' 46' ' ' ASN . 39.7 m -67.36 116.9 8.63 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.401 -177.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.579 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 0.2 OUTLIER -59.38 -44.44 92.77 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.914 -178.864 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -64.52 -34.46 78.28 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.03 178.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.6 tp -67.07 -43.44 82.64 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 178.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -57.53 -46.65 83.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.86 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.579 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 17.2 mm-40 -60.16 -45.78 91.93 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.195 -177.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.2 mtmm -62.58 -43.7 98.15 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.895 0.378 . . . . 0.0 110.535 178.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 76.7 mt -61.95 -48.76 87.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.939 -178.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 69.0 mt -63.23 -41.79 94.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.28 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -69.12 -42.41 76.11 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -177.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.421 ' HA ' HG11 ' A' ' 61' ' ' VAL . 38.7 tt0 -72.53 -37.67 68.26 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.413 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.5 tp -62.21 -45.2 94.42 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -65.26 -46.73 79.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.994 -178.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.421 HG11 ' HA ' ' A' ' 58' ' ' GLU . 12.1 p -64.02 -37.66 80.38 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.218 -178.317 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 95.6 t -72.69 -37.03 54.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 177.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.487 ' SG ' ' HE3' ' A' ' 105' ' ' LYS . 44.6 t -64.3 -39.24 93.52 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 178.384 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.38 -44.12 79.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.283 -178.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 22.9 ptp -67.7 -36.65 81.04 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.138 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.5 mp -67.89 -40.34 83.34 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.374 176.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -63.13 -39.07 93.6 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 121.098 0.475 . . . . 0.0 110.021 177.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.33 -44.71 93.08 Favored Glycine 0 N--CA 1.445 -0.764 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.051 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.19 -40.95 86.62 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 115.722 -0.239 . . . . 0.0 110.396 179.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -60.36 -43.63 96.33 Favored 'General case' 0 C--O 1.226 -0.15 0 CA-C-O 121.09 0.472 . . . . 0.0 110.534 179.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -64.26 -45.26 94.0 Favored Glycine 0 C--O 1.248 1.017 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.005 -179.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.82 -55.38 15.11 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.243 -0.478 . . . . 0.0 110.093 -179.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.632 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 36.8 mt -50.97 -54.82 20.99 Favored 'General case' 0 CA--C 1.5 -0.959 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.96 179.539 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.557 ' O ' ' HB2' ' A' ' 78' ' ' LYS . 8.7 mt-10 -53.96 -48.38 70.37 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 123.507 0.504 . . . . 0.0 112.213 -176.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 48.3 ttp180 -58.18 -43.64 87.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.762 0.315 . . . . 0.0 110.539 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -72.44 -56.55 5.24 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.235 -177.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.632 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 4.2 pp -62.25 -27.64 69.14 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -177.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.557 ' HB2' ' O ' ' A' ' 74' ' ' GLU . 0.6 OUTLIER -65.08 -27.5 68.82 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-O 121.124 0.488 . . . . 0.0 110.621 -176.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 -60.53 -29.88 69.4 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.148 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 20.6 m -67.05 135.99 54.53 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.517 -178.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -141.34 173.82 11.13 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.281 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.44 ' O ' ' HB2' ' A' ' 83' ' ' ASN . 0.9 OUTLIER 59.66 74.49 0.44 Allowed 'General case' 0 C--O 1.239 0.507 0 CA-C-N 115.078 -0.964 . . . . 0.0 112.322 179.226 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.44 ' HB2' ' O ' ' A' ' 82' ' ' LEU . 9.7 t-20 177.5 105.38 0.02 OUTLIER 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.046 174.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 76.4 mt -56.61 -33.88 40.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.883 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -72.4 -50.93 22.81 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 -177.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -58.56 -44.93 89.87 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.582 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -61.85 -39.57 92.34 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 120.379 -0.528 . . . . 0.0 111.31 -179.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -67.05 -42.49 84.71 Favored 'General case' 0 N--CA 1.457 -0.087 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.548 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -62.96 -42.08 99.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.288 178.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 8.3 m-30 -54.38 -54.25 43.15 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.426 175.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -58.7 -41.11 85.52 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.6 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.8 tm-20 -70.03 -45.23 67.64 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.71 -177.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.79 -47.4 85.3 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -57.67 -37.73 73.91 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.291 178.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.485 ' O ' HD13 ' A' ' 99' ' ' ILE . 94.5 m -56.48 -48.34 77.34 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.35 177.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.46 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 85.1 mt -72.19 -40.46 67.89 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.127 -178.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 49.5 m -53.7 -52.53 59.76 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.209 179.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -60.86 -41.98 96.94 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.414 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.485 HD13 ' O ' ' A' ' 95' ' ' THR . 1.5 mp -59.82 -42.77 90.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-O 120.748 0.309 . . . . 0.0 110.524 178.326 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 96' ' ' LEU . 97.8 mt -63.65 -46.85 83.77 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.183 179.181 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 95.5 mt -58.91 -44.06 91.21 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.365 179.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -57.42 -53.39 58.66 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.945 176.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.87 -36.59 70.27 Favored 'General case' 0 C--O 1.241 0.634 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.428 HD22 HD23 ' A' ' 33' ' ' LEU . 96.2 mt -62.72 -50.77 69.82 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 121.014 0.435 . . . . 0.0 110.149 177.02 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.487 ' HE3' ' SG ' ' A' ' 63' ' ' CYS . 0.7 OUTLIER -62.74 -31.83 72.85 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.365 179.061 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -62.19 -42.68 99.51 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 176.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 35.6 m -64.24 -48.65 74.99 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.652 178.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.467 ' O ' HG23 ' A' ' 111' ' ' VAL . 25.5 tt0 -51.74 -53.71 36.47 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.397 0.679 . . . . 0.0 111.261 177.347 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -56.21 -40.16 73.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.806 0.336 . . . . 0.0 111.253 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -68.98 -42.66 76.26 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -178.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 108' ' ' GLU . 33.7 m -66.51 -38.02 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 CA-C-O 120.975 0.417 . . . . 0.0 110.118 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.449 ' HZ1' ' HB3' ' A' ' 112' ' ' LYS . 4.8 mtpm? -64.7 -35.62 81.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.417 176.372 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.59 -23.14 58.69 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.686 -177.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.402 HG22 ' O ' ' A' ' 115' ' ' GLN . 1.0 OUTLIER -74.69 142.52 14.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 CA-C-O 121.302 0.572 . . . . 0.0 111.169 -179.202 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.402 ' O ' HG22 ' A' ' 114' ' ' ILE . 62.9 tt0 -68.57 162.01 26.73 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.236 177.243 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.4 p -153.09 140.92 20.11 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.266 -177.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 . . . . . 0 C--N 1.313 -1.021 0 CA-C-O 118.733 -0.651 . . . . 0.0 111.783 -178.012 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 . . . . . 0 N--CA 1.477 0.876 0 N-CA-C 110.903 -0.036 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 60.54 77.65 0.31 Allowed 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 120.922 0.392 . . . . 0.0 110.884 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 76.3 m-70 -86.05 79.49 9.15 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.248 -178.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -60.24 149.2 76.72 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.52 173.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -78.01 -165.29 0.32 Allowed 'Trans proline' 0 C--O 1.237 0.435 0 C-N-CA 122.654 2.236 . . . . 0.0 111.85 179.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.492 ' HB2' ' NZ ' ' A' ' 6' ' ' LYS . 3.3 ttmp? -81.18 90.56 6.07 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 121.25 0.548 . . . . 0.0 109.78 177.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.532 ' HG2' ' H ' ' A' ' 8' ' ' ASP . 46.4 tttp -160.87 -175.4 4.91 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 -178.101 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.532 ' H ' ' HG2' ' A' ' 7' ' ' LYS . 1.6 m-20 -51.19 135.26 26.26 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 122.825 0.45 . . . . 0.0 110.061 177.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -79.56 -33.54 41.74 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.016 0.436 . . . . 0.0 110.844 -176.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -100.39 -143.93 0.34 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.547 -178.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.402 ' C ' ' H ' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -100.71 169.3 9.12 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 178.612 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -78.44 20.79 0.4 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.938 0.399 . . . . 0.0 111.339 -179.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.402 ' H ' ' C ' ' A' ' 11' ' ' ARG . 38.4 mt-10 -83.61 34.28 0.48 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.27 0.557 . . . . 0.0 110.833 -178.352 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -92.17 68.85 5.18 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.187 -177.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -74.96 -36.07 62.07 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.213 0.53 . . . . 0.0 110.281 177.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 34.6 m-70 -127.3 75.54 1.59 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.681 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.47 ' O ' HD23 ' A' ' 17' ' ' LEU . 8.7 tt -99.22 -29.0 13.08 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 176.455 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.462 HD22 ' HB ' ' A' ' 80' ' ' THR . 6.4 mp -54.95 -46.58 75.02 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.339 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.41 HG22 HD13 ' A' ' 19' ' ' ILE . 32.0 mm -63.99 -37.21 79.2 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.98 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.021 178.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -56.49 -47.77 78.58 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 120.967 0.413 . . . . 0.0 110.753 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -68.04 -36.83 80.55 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.899 -178.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.49 -41.47 55.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.681 0.753 . . . . 0.0 110.237 -178.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.544 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 56.4 t30 -63.51 -39.39 94.3 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.443 -1.253 . . . . 0.0 110.283 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 -72.38 -33.96 67.6 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 120.171 -0.612 . . . . 0.0 110.944 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.99 -43.18 99.51 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 121.158 -0.217 . . . . 0.0 111.25 178.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 31.4 pt -68.23 -31.84 53.26 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.125 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.844 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.544 ' HG3' ' O ' ' A' ' 23' ' ' ASN . 50.8 mt-10 -62.74 -40.57 97.64 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.282 0.563 . . . . 0.0 109.584 174.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -65.96 -44.8 83.91 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.317 178.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.96 -39.82 96.1 Favored Glycine 0 C--O 1.22 -0.764 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.033 177.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -58.42 -45.25 88.82 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.144 0.497 . . . . 0.0 110.625 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -67.23 -43.97 80.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.043 -177.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.83 -28.49 61.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.928 -177.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.422 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 1.6 tm? -65.51 -49.1 70.24 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 176.577 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.6 mt -65.45 -26.97 68.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.559 0.695 . . . . 0.0 109.76 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -67.18 -58.05 5.58 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.181 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -64.34 -31.22 72.34 Favored 'General case' 0 C--N 1.34 0.162 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.864 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 19.6 mm-40 -59.9 -37.28 78.98 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 121.227 0.537 . . . . 0.0 110.026 178.146 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -69.15 -35.03 75.9 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.185 178.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.444 ' HA ' ' OE1' ' A' ' 39' ' ' GLN . 11.0 mm-40 -67.51 -44.29 78.79 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-O 121.196 0.522 . . . . 0.0 109.667 179.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.8 tp -50.98 -45.64 61.06 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.727 176.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -58.81 -46.53 87.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.743 178.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -63.64 -40.81 97.81 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.88 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.0 tp -63.95 -31.9 73.25 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 120.625 0.25 . . . . 0.0 110.604 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -59.15 -31.52 69.04 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.039 178.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -83.58 -47.18 11.56 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.893 177.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -74.83 -37.94 62.15 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 121.166 0.508 . . . . 0.0 110.864 -175.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.441 ' O ' HG21 ' A' ' 116' ' ' THR . 0.1 OUTLIER 59.68 22.01 10.74 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.955 -179.044 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.6 t -71.32 129.61 39.3 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 121.128 0.49 . . . . 0.0 112.172 -176.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.429 ' HG3' ' H ' ' A' ' 50' ' ' GLU . 34.7 pttt -58.22 -47.84 82.24 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.641 175.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.452 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 35.6 mt-10 -60.9 -49.91 75.53 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.973 -178.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 56.1 tp -61.04 -40.84 95.14 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.219 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -58.41 -48.46 80.59 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.648 178.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -64.24 -42.52 96.5 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.952 -178.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.539 ' HZ1' ' HB3' ' A' ' 54' ' ' LYS . 8.4 mtpm? -64.56 -42.98 95.32 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 120.719 0.295 . . . . 0.0 110.404 178.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 71.6 mt -62.77 -53.69 43.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.486 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 16.2 tt -65.92 -32.79 59.7 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -177.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -68.46 -47.81 66.15 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.965 178.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -65.8 -36.18 82.78 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.001 0.429 . . . . 0.0 110.303 178.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 38.4 tp -61.64 -49.73 75.36 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.338 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -64.15 -45.75 87.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.084 -177.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 33.5 m -63.22 -38.1 81.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 C-N-CA 120.659 -0.416 . . . . 0.0 111.639 -178.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.419 ' HA ' ' HG2' ' A' ' 65' ' ' MET . 92.8 t -73.18 -37.87 53.39 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 178.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.425 ' O ' ' HB2' ' A' ' 67' ' ' GLU . 42.4 t -62.87 -38.28 90.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.222 0.534 . . . . 0.0 109.721 179.035 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.96 -49.66 49.52 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.468 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.419 ' HG2' ' HA ' ' A' ' 62' ' ' VAL . 22.7 ptp -62.36 -38.82 91.02 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.478 -178.674 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.3 mp -66.58 -41.61 88.62 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.527 177.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 63' ' ' CYS . 0.3 OUTLIER -66.93 -39.53 87.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.107 0.479 . . . . 0.0 110.362 -179.176 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.57 -45.42 93.07 Favored Glycine 0 N--CA 1.442 -0.934 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.074 -178.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.88 -41.22 75.06 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.424 -0.388 . . . . 0.0 110.176 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.673 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 0.7 OUTLIER -61.82 -45.14 95.13 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-O 121.137 0.494 . . . . 0.0 110.264 -178.917 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -68.94 -45.8 62.02 Favored Glycine 0 C--O 1.243 0.678 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.657 -178.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.67 -53.64 38.37 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-O 121.022 0.439 . . . . 0.0 110.946 -177.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.47 ' HG ' HD23 ' A' ' 77' ' ' LEU . 28.6 tp -60.19 -43.84 95.58 Favored 'General case' 0 C--O 1.214 -0.804 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.387 -179.289 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.673 ' HB2' ' O ' ' A' ' 70' ' ' GLN . 0.8 OUTLIER -54.48 -53.89 48.3 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-O 121.746 0.784 . . . . 0.0 110.762 -178.249 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 28.9 ttm-85 -56.67 -42.89 79.8 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.45 -178.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -73.25 -54.69 7.79 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.979 -178.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.492 HD12 ' N ' ' A' ' 78' ' ' LYS . 3.2 pp -53.2 -21.63 5.45 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -178.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.492 ' N ' HD12 ' A' ' 77' ' ' LEU . 21.6 mmtm -64.38 -45.13 89.04 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-O 121.127 0.489 . . . . 0.0 111.141 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.547 ' HD2' ' N ' ' A' ' 79' ' ' ARG . 4.8 mpt_? -94.79 -12.37 27.22 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.488 -177.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.462 ' HB ' HD22 ' A' ' 18' ' ' LEU . 61.7 m -65.18 -22.72 66.94 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -176.079 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -150.23 -174.17 4.66 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 179.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.503 HD12 ' N ' ' A' ' 83' ' ' ASN . 2.1 tm? -157.26 137.01 12.32 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.503 ' N ' HD12 ' A' ' 82' ' ' LEU . 15.3 t-20 168.68 141.53 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.657 0.598 . . . . 0.0 109.755 -175.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 77.6 mt -57.92 -41.7 80.7 Favored 'Isoleucine or valine' 0 C--O 1.241 0.648 0 CA-C-O 121.014 0.435 . . . . 0.0 110.885 178.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 55.9 tp -66.65 -46.7 74.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.908 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -60.01 -39.39 85.64 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.229 178.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -58.58 -43.67 89.53 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-O 121.447 0.641 . . . . 0.0 109.816 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -70.04 -44.73 68.63 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.906 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -54.9 -51.97 64.36 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.692 178.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 15.0 m-30 -56.42 -45.24 80.79 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.567 179.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -58.19 -43.19 87.44 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.029 178.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -69.4 -36.9 77.2 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.209 0.528 . . . . 0.0 110.068 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.35 -46.22 89.66 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.769 179.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -57.23 -38.76 74.27 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.867 177.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.517 ' O ' HG13 ' A' ' 99' ' ' ILE . 43.6 m -59.03 -52.18 66.87 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.401 -178.298 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 90.1 mt -69.44 -37.81 77.56 Favored 'General case' 0 CA--C 1.516 -0.342 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.035 -177.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 42.6 m -58.14 -50.06 74.83 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.179 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -63.14 -39.67 95.35 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.154 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.517 HG13 ' O ' ' A' ' 95' ' ' THR . 80.4 mt -62.5 -41.22 91.11 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-O 121.167 0.508 . . . . 0.0 110.242 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -60.49 -47.81 84.51 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.75 178.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 95.0 mt -59.45 -39.85 84.93 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.804 179.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -63.93 -49.75 71.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.455 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -66.03 -36.9 84.52 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.492 -179.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 19.3 tp -61.93 -50.22 73.03 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.438 0.637 . . . . 0.0 110.118 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.4 ' O ' ' HB3' ' A' ' 108' ' ' GLU . 37.3 tttp -65.78 -25.54 67.3 Favored 'General case' 0 N--CA 1.439 -1.017 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.652 179.288 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.422 ' HG2' ' HE3' ' A' ' 110' ' ' LYS . 35.7 tt0 -65.67 -32.98 74.84 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 175.148 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 20.3 m -63.83 -46.56 84.49 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 175.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.4 ' HB3' ' O ' ' A' ' 105' ' ' LYS . 27.3 tt0 -51.36 -48.42 62.49 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.883 176.295 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.456 ' O ' ' HG2' ' A' ' 112' ' ' LYS . 57.0 tp60 -58.0 -43.24 86.5 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.079 179.447 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.422 ' HE3' ' HG2' ' A' ' 106' ' ' GLU . 96.8 mttt -71.97 -43.88 64.43 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.489 0.552 . . . . 0.0 112.489 -177.271 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.5 p -62.52 -42.8 97.19 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.458 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.456 ' HG2' ' O ' ' A' ' 109' ' ' GLN . 9.0 pttp -71.88 -21.3 61.67 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 121.029 0.442 . . . . 0.0 110.566 177.169 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -70.03 -32.67 70.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.217 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.405 HG22 HG23 ' A' ' 116' ' ' THR . 1.5 mp -69.44 118.25 13.47 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-O 120.833 0.349 . . . . 0.0 110.287 179.046 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -75.88 123.98 26.58 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 121.255 0.55 . . . . 0.0 110.052 176.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.441 HG21 ' O ' ' A' ' 47' ' ' LYS . 32.2 p -111.11 174.36 5.9 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -178.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 . . . . . 0 C--O 1.244 0.771 0 CA-C-N 114.909 -1.041 . . . . 0.0 111.135 -178.487 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 N--CA 1.479 0.976 0 CA-C-O 121.235 0.54 . . . . 0.0 110.139 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -128.33 154.03 46.38 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.579 178.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -84.59 83.19 8.1 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.904 0.383 . . . . 0.0 110.918 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.441 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -122.8 163.65 31.74 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.419 178.93 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_endo -82.06 -90.24 0.0 OUTLIER 'Trans proline' 0 N--CA 1.442 -1.547 0 C-N-CA 122.332 2.021 . . . . 0.0 110.559 175.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm 40.13 69.83 0.28 Allowed 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.575 0.75 . . . . 0.0 112.818 -179.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.22 -11.51 25.95 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.21 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -91.14 134.11 34.8 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -105.13 14.19 29.55 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.429 -176.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 69.29 108.23 0.05 Allowed 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.283 0.563 . . . . 0.0 109.826 -175.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -130.4 115.99 17.64 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.955 -173.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -86.31 95.53 9.67 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.915 178.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -133.69 104.42 6.33 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.865 -179.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 61.33 14.7 5.89 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.023 -178.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -70.94 -25.32 62.69 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 176.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -119.98 173.11 7.27 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 107.586 -1.264 . . . . 0.0 107.586 175.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -110.09 176.49 5.04 Favored 'General case' 0 C--N 1.315 -0.906 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.84 -178.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.2 mt -58.2 -65.72 0.6 Allowed 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -176.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.427 HD12 ' CD1' ' A' ' 90' ' ' TYR . 24.0 mm -66.67 -36.12 76.47 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.525 0 CA-C-O 120.752 0.31 . . . . 0.0 110.5 -179.504 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -55.63 -46.4 77.43 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.263 178.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -66.29 -47.9 72.14 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 120.763 0.316 . . . . 0.0 110.437 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.59 -43.13 75.7 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 121.18 0.514 . . . . 0.0 110.92 177.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -60.36 -42.4 95.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.912 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -64.61 -45.17 88.06 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.345 177.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.5 -45.89 88.59 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.6 pt -65.26 -36.42 77.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 C-N-CA 120.524 -0.47 . . . . 0.0 111.015 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -63.94 -40.96 97.64 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-O 120.952 0.406 . . . . 0.0 110.254 175.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -65.55 -44.31 87.21 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 178.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.25 -43.14 93.69 Favored Glycine 0 C--O 1.222 -0.607 0 CA-C-N 115.479 -0.782 . . . . 0.0 112.188 177.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -56.51 -45.98 80.79 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.143 0.497 . . . . 0.0 110.353 178.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -64.18 -49.27 72.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.289 -177.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.05 -33.01 69.88 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -177.397 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.54 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 1.7 tm? -69.26 -50.3 48.22 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 178.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.409 ' O ' ' HD2' ' A' ' 38' ' ' HIS . 69.3 mt -63.85 -33.07 74.85 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -179.664 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -66.29 -52.03 51.49 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.272 178.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.43 ' O ' HD23 ' A' ' 36' ' ' LEU . 5.6 tt -60.1 -34.28 73.26 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.927 -178.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.54 ' HG3' ' O ' ' A' ' 33' ' ' LEU . 91.5 mt-30 -58.42 -37.63 75.77 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 120.927 0.394 . . . . 0.0 110.192 178.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.409 ' HD2' ' O ' ' A' ' 34' ' ' LEU . 68.5 m-70 -66.17 -38.09 87.24 Favored 'General case' 0 C--O 1.247 0.922 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.601 178.563 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -68.97 -42.77 76.13 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.263 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.4 HD21 HG21 ' A' ' 107' ' ' THR . 30.4 tp -51.42 -47.45 62.98 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.868 174.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -57.21 -40.0 76.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.246 0.546 . . . . 0.0 110.469 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -67.29 -44.26 79.72 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.053 176.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -58.58 -39.73 81.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.372 178.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -57.28 -34.07 68.28 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 121.042 0.449 . . . . 0.0 110.501 179.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -82.91 -42.9 17.14 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.854 -179.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.464 ' HB3' ' OG ' ' A' ' 48' ' ' SER . 23.9 m-80 -76.62 -35.94 57.75 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -176.242 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt 59.63 22.68 11.4 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 115.388 -0.823 . . . . 0.0 109.215 -175.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.464 ' OG ' ' HB3' ' A' ' 46' ' ' ASN . 53.0 m -69.18 120.1 14.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.176 -177.138 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.439 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 0.1 OUTLIER -62.45 -42.28 99.36 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.187 179.12 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 7.8 mm-40 -61.32 -46.01 92.04 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 116.784 -0.189 . . . . 0.0 111.06 179.191 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 45.2 tp -62.09 -41.54 98.29 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -60.29 -47.13 87.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.122 178.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.615 ' O ' ' HD3' ' A' ' 57' ' ' ARG . 7.3 mm-40 -61.09 -45.99 92.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.003 -178.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.451 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -62.86 -43.96 97.4 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 179.28 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 63.8 mt -61.23 -50.15 81.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.864 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 79.2 mt -61.94 -39.24 82.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.708 0.29 . . . . 0.0 110.942 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.615 ' HD3' ' O ' ' A' ' 53' ' ' GLU . 7.4 mpt_? -67.35 -48.45 67.46 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.604 -178.351 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.489 ' O ' HG21 ' A' ' 61' ' ' VAL . 10.8 pt-20 -69.49 -32.13 70.82 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 119.816 -0.754 . . . . 0.0 110.67 179.381 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.1 tt -61.84 -46.65 88.56 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 176.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -63.54 -43.81 96.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.888 -178.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.596 HG13 ' O ' ' A' ' 57' ' ' ARG . 5.3 m -63.8 -37.65 80.28 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 120.449 -0.501 . . . . 0.0 110.811 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 72.0 t -70.21 -39.29 76.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 177.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 42.4 t -62.61 -41.56 99.07 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.87 178.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.71 -48.1 70.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.374 -178.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.2 ptp -65.61 -36.33 83.42 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.626 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.5 mp -67.83 -43.15 86.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.475 177.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -61.13 -39.64 90.79 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.103 0.478 . . . . 0.0 110.524 178.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -68.44 -48.14 53.11 Favored Glycine 0 N--CA 1.439 -1.145 0 CA-C-N 115.325 -0.852 . . . . 0.0 113.104 -177.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.06 -44.0 70.05 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.505 0.187 . . . . 0.0 111.505 -178.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.621 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 10.6 pt20 -63.57 -36.44 83.81 Favored 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.285 -178.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -69.27 -43.96 68.16 Favored Glycine 0 C--O 1.24 0.525 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.06 178.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.8 -53.78 29.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.108 -0.546 . . . . 0.0 110.138 -178.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.597 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 48.3 tp -56.19 -44.72 79.71 Favored 'General case' 0 C--O 1.214 -0.769 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.409 179.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.621 ' HB2' ' O ' ' A' ' 70' ' ' GLN . 2.3 tm-20 -55.68 -49.88 71.77 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.154 0.502 . . . . 0.0 110.362 -179.096 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -57.24 -45.74 83.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.003 178.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -71.24 -54.54 10.56 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.47 -176.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 2.9 pp -58.27 -19.43 34.29 Favored 'General case' 0 CA--C 1.516 -0.34 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.419 ' N ' HD12 ' A' ' 77' ' ' LEU . 37.5 mmtt -72.64 -10.76 60.18 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 120.916 -0.314 . . . . 0.0 111.577 178.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -56.68 -35.03 67.97 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.253 0.549 . . . . 0.0 110.033 -179.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.2 t -148.12 115.48 6.24 Favored 'General case' 0 N--CA 1.436 -1.166 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.701 178.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -138.71 21.94 2.68 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.03 0.443 . . . . 0.0 110.068 -178.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.466 ' O ' ' HB2' ' A' ' 83' ' ' ASN . 3.6 tt -91.31 105.47 17.81 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 -177.031 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.494 ' HB3' ' HB2' ' A' ' 86' ' ' GLU . 22.4 t-20 168.63 131.47 0.02 OUTLIER 'General case' 0 CA--C 1.501 -0.924 0 O-C-N 124.046 0.841 . . . . 0.0 108.835 -176.283 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 50.0 mt -57.19 -47.19 84.52 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.183 0 CA-C-O 121.228 0.537 . . . . 0.0 110.956 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -75.43 -49.67 18.19 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.049 -175.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.494 ' HB2' ' HB3' ' A' ' 83' ' ' ASN . 46.1 mt-10 -61.94 -41.12 97.59 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.714 -0.221 . . . . 0.0 111.155 -178.293 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -58.65 -45.68 88.8 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.065 0.46 . . . . 0.0 110.09 177.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -59.74 -42.17 92.58 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.647 177.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.77 -49.94 74.34 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.542 179.22 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.427 ' CD1' HD12 ' A' ' 19' ' ' ILE . 4.5 m-30 -54.72 -54.59 39.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.415 177.016 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -57.56 -48.6 78.89 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.045 -178.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.412 ' O ' ' HB ' ' A' ' 95' ' ' THR . 6.9 tp10 -66.33 -45.74 79.22 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.601 -177.635 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.98 -44.46 91.6 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-O 120.82 0.343 . . . . 0.0 111.017 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.448 ' O ' ' HG3' ' A' ' 98' ' ' LYS . 98.7 mt-30 -64.33 -35.02 79.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.397 178.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.49 ' O ' HG13 ' A' ' 99' ' ' ILE . 53.6 m -58.3 -46.77 85.5 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.943 175.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 85.6 mt -70.08 -34.91 73.76 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.09 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 46.6 m -60.06 -50.57 73.19 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.683 179.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 94' ' ' GLN . 43.5 mtmt -59.44 -38.14 79.94 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.629 179.268 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 95' ' ' THR . 84.2 mt -63.55 -45.84 96.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-O 121.278 0.561 . . . . 0.0 110.019 178.393 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 65.7 tp -59.16 -51.46 69.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.032 -0.985 . . . . 0.0 111.154 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.44 -39.77 88.68 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.043 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -64.15 -37.5 87.67 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.477 178.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -70.82 -34.99 72.29 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.299 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.06 -49.68 76.36 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 120.84 0.352 . . . . 0.0 110.407 177.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.43 ' O ' ' HG3' ' A' ' 109' ' ' GLN . 26.4 mtpp -64.24 -31.0 72.03 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.081 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.565 ' O ' ' HD3' ' A' ' 110' ' ' LYS . 42.8 tt0 -66.62 -41.34 88.5 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 177.442 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.424 ' O ' HG23 ' A' ' 111' ' ' VAL . 57.0 m -67.68 -43.13 80.92 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 114.944 -1.025 . . . . 0.0 109.469 178.206 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -49.4 -55.67 12.23 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 123.621 0.768 . . . . 0.0 111.03 174.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.43 ' HG3' ' O ' ' A' ' 105' ' ' LYS . 88.3 mt-30 -59.2 -34.26 71.95 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.641 -179.54 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.565 ' HD3' ' O ' ' A' ' 106' ' ' GLU . 4.7 mptp? -66.22 -45.56 80.25 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.162 0.506 . . . . 0.0 111.71 179.166 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 107' ' ' THR . 46.7 t -60.22 -46.47 94.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.709 178.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -72.36 -15.23 61.86 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.274 -0.876 . . . . 0.0 111.173 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.451 ' HB3' ' O ' ' A' ' 110' ' ' LYS . 17.6 t70 -75.24 -31.48 60.84 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.073 178.262 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -73.9 125.01 32.41 Favored 'Isoleucine or valine' 0 C--O 1.242 0.664 0 CA-C-O 121.464 0.65 . . . . 0.0 111.33 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 27.0 pt20 -77.04 118.88 20.03 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.906 177.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 50.1 p -110.1 171.58 7.37 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -178.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 . . . . . 0 C--O 1.243 0.748 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.517 -179.093 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 26.6 mp0 . . . . . 0 N--CA 1.473 0.702 0 CA-C-O 120.811 0.339 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -136.92 171.09 15.02 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.936 177.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.3 t60 59.84 47.06 10.57 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 121.423 0.63 . . . . 0.0 109.906 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.449 ' HE3' ' O ' ' A' ' 6' ' ' LYS . 54.7 pttt -62.1 151.57 80.55 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.375 -179.447 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -57.34 -48.2 18.67 Favored 'Trans proline' 0 C--N 1.355 0.894 0 C-N-CA 122.819 2.346 . . . . 0.0 112.596 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.449 ' O ' ' HE3' ' A' ' 4' ' ' LYS . 44.7 mmtm -74.98 74.57 2.19 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.975 0.417 . . . . 0.0 111.053 178.351 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -165.18 172.91 11.93 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -72.35 78.43 1.01 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.878 0.37 . . . . 0.0 110.804 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -107.45 35.37 3.09 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -46.35 -38.82 9.34 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.641 -178.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -83.8 82.08 8.48 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 177.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -116.82 142.49 46.86 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -75.63 -164.51 0.35 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.384 0.611 . . . . 0.0 111.078 -179.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.43 ' HB2' HD23 ' A' ' 17' ' ' LEU . 99.0 m-85 -129.04 -174.47 3.27 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.817 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -55.23 -57.65 10.92 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 123.372 0.42 . . . . 0.0 111.174 -179.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -167.92 101.39 0.46 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.466 0.65 . . . . 0.0 111.313 176.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.616 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 1.2 pt? -111.43 179.01 4.15 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.205 177.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.9 mt -65.95 -53.0 44.69 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.004 0.43 . . . . 0.0 111.115 -177.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.472 HD12 ' CD1' ' A' ' 90' ' ' TYR . 23.4 mm -64.0 -23.95 34.59 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-O 121.2 0.524 . . . . 0.0 110.39 178.342 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.616 ' HB2' ' CD2' ' A' ' 17' ' ' LEU . 1.7 tm-20 -62.59 -53.11 59.45 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.216 176.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -61.09 -36.17 78.95 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.192 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.7 -50.49 13.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.997 -175.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.419 ' ND2' ' HA ' ' A' ' 20' ' ' GLU . 1.8 p30 -64.65 -32.57 74.29 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.066 -176.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -76.06 -39.3 55.75 Favored 'General case' 0 N--CA 1.443 -0.816 0 C-N-CA 120.38 -0.528 . . . . 0.0 111.312 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.96 -45.85 80.24 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 120.659 0.266 . . . . 0.0 111.513 179.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.7 pp -66.74 -32.11 56.56 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.151 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -63.2 -44.81 94.29 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 176.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.509 ' HB2' ' HZ1' ' A' ' 28' ' ' LYS . 4.8 ttmp? -65.23 -43.17 92.29 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.12 178.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.455 ' O ' ' HG3' ' A' ' 32' ' ' GLN . . . -61.33 -41.74 99.59 Favored Glycine 0 C--N 1.336 0.577 0 C-N-CA 121.219 -0.515 . . . . 0.0 111.984 179.191 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.524 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 35.8 tt0 -57.69 -49.31 76.95 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 123.03 0.532 . . . . 0.0 110.554 179.244 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -68.81 -39.74 79.9 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.234 -177.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.455 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -69.38 -29.38 67.14 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.004 178.425 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -66.11 -45.56 80.74 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 176.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 30' ' ' GLU . 69.3 mt -65.4 -35.24 80.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.968 179.408 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -66.48 -55.67 14.55 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.123 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.61 -30.69 70.0 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.882 0.372 . . . . 0.0 111.233 -178.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -57.82 -33.75 68.94 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-O 121.363 0.601 . . . . 0.0 109.781 178.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -69.55 -40.71 76.66 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.889 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -56.85 -43.71 81.43 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.142 176.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.4 tt -50.5 -49.13 56.34 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.466 175.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -56.49 -41.36 76.52 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 120.81 0.338 . . . . 0.0 111.568 179.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -68.1 -44.05 77.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.48 0.657 . . . . 0.0 109.487 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.1 tp -57.17 -42.4 81.07 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.296 178.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.636 ' O ' ' HE3' ' A' ' 47' ' ' LYS . 7.1 m-20 -59.24 -35.15 73.16 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.023 0.44 . . . . 0.0 111.193 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -79.4 -46.76 16.96 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.435 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -77.91 -34.08 51.53 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -175.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.636 ' HE3' ' O ' ' A' ' 44' ' ' ASN . 33.1 mmtp 58.93 25.24 13.48 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.445 -177.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.2 m -68.5 119.45 12.98 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.757 -178.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.472 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.3 OUTLIER -61.25 -42.04 97.95 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.911 179.283 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.451 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 5.4 pt-20 -64.57 -41.9 95.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.56 178.196 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 61.4 tp -64.48 -40.44 95.68 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -56.76 -47.93 78.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.522 178.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.487 ' HB3' ' NH1' ' A' ' 57' ' ' ARG . 43.1 mt-10 -63.43 -43.11 98.4 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.255 -177.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.461 ' HZ3' ' HB3' ' A' ' 54' ' ' LYS . 7.8 mtpm? -64.59 -41.86 95.97 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.972 0.415 . . . . 0.0 110.317 179.181 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.45 ' O ' ' HB2' ' A' ' 59' ' ' LEU . 70.3 mt -60.21 -45.14 96.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.092 178.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 80.5 mt -67.51 -36.35 76.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.18 178.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.487 ' NH1' ' HB3' ' A' ' 53' ' ' GLU . 2.4 mpt_? -65.8 -46.26 79.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.801 -0.181 . . . . 0.0 111.056 -179.369 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.465 ' HA ' HG13 ' A' ' 61' ' ' VAL . 7.6 mm-40 -71.98 -32.75 67.54 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.137 178.16 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' A' ' 55' ' ' ILE . 13.5 tp -63.09 -48.62 77.82 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.282 0.563 . . . . 0.0 109.656 177.533 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.47 ' HA ' ' SG ' ' A' ' 63' ' ' CYS . 27.5 t70 -61.47 -47.32 86.2 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.177 -179.281 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.465 HG13 ' HA ' ' A' ' 58' ' ' GLU . 7.5 p -63.85 -40.59 89.6 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -179.607 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 76.8 t -71.95 -41.0 68.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.598 -178.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.47 ' SG ' ' HA ' ' A' ' 60' ' ' ASP . 21.1 p -66.36 -32.77 74.37 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 119.771 -0.772 . . . . 0.0 110.667 -179.036 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.18 -46.13 61.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.436 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 21.9 ptp -65.65 -41.1 92.95 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.31 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.4 mp -65.44 -43.91 94.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.836 178.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -68.44 -36.19 78.68 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 120.83 0.348 . . . . 0.0 111.298 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -68.18 -45.42 71.25 Favored Glycine 0 N--CA 1.442 -0.966 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.212 -179.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.57 -41.24 72.68 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.06 -41.48 96.69 Favored 'General case' 0 C--O 1.217 -0.609 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.407 ' O ' ' HG3' ' A' ' 74' ' ' GLU . . . -68.86 -46.87 58.47 Favored Glycine 0 C--O 1.245 0.806 0 CA-C-N 115.185 -0.916 . . . . 0.0 112.56 -179.161 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.47 -54.66 21.51 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.123 0.487 . . . . 0.0 110.723 -177.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.424 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 29.3 tp -56.14 -48.03 77.05 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.261 -179.302 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.665 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 2.5 pp20? -58.92 -40.42 84.5 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.931 -177.23 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -59.42 -44.34 92.89 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.249 177.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -65.06 -55.38 19.17 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.365 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.515 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 3.9 pp -60.13 -19.39 53.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.406 -179.187 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.665 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 29.8 mmtm -69.79 -38.54 76.71 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 121.009 0.433 . . . . 0.0 111.156 179.022 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 61.0 mtp85 -66.24 -26.05 67.18 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.771 -179.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 20.0 m -71.59 138.18 48.57 Favored 'General case' 0 N--CA 1.431 -1.389 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.247 178.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -69.9 156.21 39.41 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 178.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.446 ' N ' HD13 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -147.66 148.78 31.42 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 -175.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -88.74 176.19 7.18 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.706 -1.134 . . . . 0.0 110.496 177.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.3 mp -57.68 -33.57 45.36 Favored 'Isoleucine or valine' 0 C--O 1.241 0.621 0 CA-C-O 121.198 0.523 . . . . 0.0 110.783 177.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 60.3 tp -75.41 -46.45 32.76 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.469 -178.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -61.76 -40.95 96.93 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.578 179.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.404 ' HB2' HD21 ' A' ' 82' ' ' LEU . 74.2 ttt180 -54.24 -49.73 68.81 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 121.023 0.44 . . . . 0.0 110.056 176.636 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -60.97 -43.75 98.31 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.04 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -61.33 -50.56 72.43 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.095 179.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.472 ' CD1' HD12 ' A' ' 19' ' ' ILE . 3.8 m-30 -53.92 -53.91 46.11 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.23 0.538 . . . . 0.0 110.411 176.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -54.98 -51.32 66.59 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.124 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -62.29 -42.81 99.67 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -176.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.37 -47.55 83.65 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-O 121.064 0.459 . . . . 0.0 110.578 -177.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -68.42 -33.58 74.47 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.191 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.421 ' O ' HG13 ' A' ' 99' ' ' ILE . 52.7 m -59.16 -46.71 87.68 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.075 176.085 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.454 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 92.0 mt -65.03 -39.21 93.05 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.85 178.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.532 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 47.1 t -56.35 -45.96 80.2 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.965 178.531 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 8.4 mmpt? -63.04 -41.5 99.51 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.399 -178.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 95' ' ' THR . 78.2 mt -63.53 -44.02 98.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.235 179.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 96' ' ' LEU . 99.3 mt -63.37 -41.31 98.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.772 179.321 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 97' ' ' SER . 90.3 mt -64.49 -44.94 89.4 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.989 179.36 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -62.12 -42.87 99.67 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.678 179.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -64.63 -34.45 78.31 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.525 -0.47 . . . . 0.0 109.833 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 17.1 tp -64.88 -45.49 85.76 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 178.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.502 ' HG2' ' O ' ' A' ' 101' ' ' LEU . 32.1 mmmt -57.96 -39.24 77.63 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.893 176.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.489 ' O ' ' HG3' ' A' ' 110' ' ' LYS . 8.6 tp10 -60.85 -38.79 86.76 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 177.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 27.8 m -62.11 -55.39 29.37 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.389 -178.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -56.07 -41.14 74.65 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.437 0.161 . . . . 0.0 111.359 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -61.45 -42.19 98.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.402 179.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.489 ' HG3' ' O ' ' A' ' 106' ' ' GLU . 29.5 mtpp -63.86 -41.11 97.87 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.4 0.619 . . . . 0.0 110.546 178.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 95.1 t -59.79 -42.28 88.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.535 177.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -66.96 -24.08 66.02 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.574 177.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -77.94 -21.7 50.68 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.733 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.1 mp -78.41 149.35 5.77 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-O 120.795 0.331 . . . . 0.0 110.379 -179.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -90.95 166.06 13.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.359 177.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.6 p -154.39 156.27 36.53 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.798 -0.183 . . . . 0.0 111.266 -172.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.715 -0.66 . . . . 0.0 110.976 177.432 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 . . . . . 0 N--CA 1.472 0.649 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -171.15 -170.59 0.86 Allowed 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.644 -175.602 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -120.84 -153.33 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 175.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 50.3 pttt -62.72 152.93 80.69 Favored Pre-proline 0 C--O 1.237 0.41 0 CA-C-O 120.434 0.159 . . . . 0.0 110.974 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -60.93 -173.09 0.09 OUTLIER 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 123.082 2.522 . . . . 0.0 113.604 -177.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -101.58 92.45 4.89 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.325 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.43 ' HD3' ' H ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -118.3 149.12 41.69 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.018 -179.783 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -179.56 150.07 0.4 Allowed 'General case' 0 C--N 1.318 -0.802 0 O-C-N 123.678 0.611 . . . . 0.0 110.065 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -98.42 33.41 2.24 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.055 0.455 . . . . 0.0 110.189 -177.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.5 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 47.6 m-85 71.91 32.0 1.95 Allowed 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.429 178.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.5 ' HB2' ' O ' ' A' ' 10' ' ' PHE . 7.3 mpt_? 78.6 17.61 1.05 Allowed 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.545 177.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -61.27 148.85 39.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.355 178.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -50.77 -60.16 3.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.526 -178.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -122.69 114.62 20.82 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.422 -0.511 . . . . 0.0 111.43 -179.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -71.22 -57.91 4.04 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 176.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 56.1 m80 -150.69 104.52 3.2 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.284 177.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.451 ' HG ' ' N ' ' A' ' 18' ' ' LEU . 42.7 tp -111.47 171.26 7.59 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.26 179.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.451 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 79.7 mt -55.19 -47.34 75.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.829 0.347 . . . . 0.0 111.283 179.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.601 HD11 ' CD1' ' A' ' 90' ' ' TYR . 22.5 mm -64.09 -39.25 84.81 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.407 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.073 178.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -60.38 -34.48 73.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.72 178.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -71.4 -51.48 23.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.207 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.43 -43.51 83.93 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.195 177.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 41.0 t-20 -60.4 -37.92 82.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.683 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -68.28 -43.74 77.06 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.457 179.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.26 -47.97 77.52 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 35.7 pt -64.75 -36.69 78.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.103 -179.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -59.62 -45.4 92.05 Favored 'General case' 0 C--O 1.247 0.969 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 176.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.554 ' HB3' ' HZ2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -65.87 -41.63 91.37 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.706 177.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.37 -44.74 96.36 Favored Glycine 0 C--N 1.34 0.776 0 C-N-CA 121.341 -0.457 . . . . 0.0 112.577 179.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.5 tt0 -57.45 -46.77 83.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.263 0.554 . . . . 0.0 110.647 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.469 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 44.9 t-80 -63.6 -45.05 92.12 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.602 -177.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -72.84 -31.79 65.03 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.854 -0.338 . . . . 0.0 111.52 -179.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -65.24 -48.39 73.44 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 178.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 31' ' ' HIS . 4.7 pp -64.43 -27.0 68.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.049 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -69.92 -56.72 6.3 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.191 176.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 71.1 mt -62.71 -36.02 81.61 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.469 -175.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -59.56 -40.6 87.84 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 178.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 42.6 t60 -70.04 -33.69 72.29 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.156 177.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -65.11 -43.83 90.75 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.48 -41.17 69.23 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.147 175.661 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -59.57 -39.76 85.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.243 0.544 . . . . 0.0 109.985 178.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -67.05 -44.18 80.84 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.316 177.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 38.3 tp -55.65 -36.69 67.33 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.866 177.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -62.15 -33.45 74.52 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.353 0.597 . . . . 0.0 111.076 178.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -85.69 -48.36 8.92 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.007 -178.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.431 ' ND2' ' HB2' ' A' ' 48' ' ' SER . 59.2 t30 -78.85 -31.26 45.57 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 121.059 0.456 . . . . 0.0 111.371 -177.107 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.478 ' O ' HG23 ' A' ' 116' ' ' THR . 0.2 OUTLIER 58.17 22.52 9.22 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.439 -178.535 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.431 ' HB2' ' ND2' ' A' ' 46' ' ' ASN . 25.8 t -62.82 119.04 8.58 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.889 -178.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.598 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.4 OUTLIER -63.48 -40.15 96.33 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.439 177.704 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.502 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 34.6 mt-10 -62.69 -45.98 90.28 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 177.259 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 63.6 tp -60.22 -40.69 91.03 Favored 'General case' 0 C--O 1.223 -0.327 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 176.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.441 ' HB3' ' O ' ' A' ' 49' ' ' LYS . 18.9 tt0 -55.63 -49.4 72.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.672 176.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -61.48 -47.04 87.46 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.45 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.502 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 14.4 mmmm -59.45 -40.91 88.35 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 178.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.7 mt -62.57 -47.82 91.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.168 178.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 35.8 mm -59.86 -42.67 89.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-O 120.973 0.416 . . . . 0.0 110.619 177.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? -68.08 -44.92 75.18 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.895 -177.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.429 ' O ' HG23 ' A' ' 62' ' ' VAL . 7.5 tp10 -73.02 -34.8 66.57 Favored 'General case' 0 N--CA 1.432 -1.363 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.276 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.6 tp -61.99 -46.67 88.2 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 178.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -58.69 -49.66 76.74 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.142 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.3 p -63.02 -37.18 78.67 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 CA-C-O 120.821 0.343 . . . . 0.0 110.844 -178.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 58' ' ' GLU . 53.9 t -68.03 -44.85 84.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.166 177.575 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 76.3 m -61.75 -42.39 98.91 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.27 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.77 -48.05 67.44 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -178.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 21.3 ptp -65.36 -39.71 92.68 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.555 -178.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.4 mp -64.77 -43.45 96.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.429 178.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -66.46 -37.88 86.11 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 120.806 0.336 . . . . 0.0 111.23 -179.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.98 -48.11 68.5 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 121.066 -0.588 . . . . 0.0 112.456 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.31 -40.89 86.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.966 -0.117 . . . . 0.0 110.747 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.656 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 16.3 mt-30 -62.77 -43.26 99.26 Favored 'General case' 0 C--O 1.21 -0.976 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.828 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.84 -43.77 93.31 Favored Glycine 0 C--O 1.239 0.414 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.554 -177.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.49 -54.19 26.76 Favored 'General case' 0 C--O 1.242 0.679 0 CA-C-O 121.336 0.589 . . . . 0.0 110.468 -178.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.548 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 53.2 tp -60.19 -41.84 93.79 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.177 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.656 ' HB2' ' O ' ' A' ' 70' ' ' GLN . 1.4 tm-20 -54.14 -51.71 63.41 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.996 0.427 . . . . 0.0 110.621 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -58.31 -39.17 78.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.843 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -72.69 -55.85 6.18 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.244 -178.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.647 ' O ' ' HE2' ' A' ' 90' ' ' TYR . 3.5 pp -62.33 -21.16 65.06 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -178.42 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.459 ' HZ3' ' CD ' ' A' ' 74' ' ' GLU . 16.6 mmtp -68.36 -17.07 64.15 Favored 'General case' 0 C--N 1.305 -1.328 0 C-N-CA 119.74 -0.784 . . . . 0.0 111.892 -177.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 39.2 ttt85 -91.75 -22.24 20.28 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.969 178.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.2 p -81.98 12.11 4.45 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 -178.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.473 ' CG ' ' H ' ' A' ' 82' ' ' LEU . 26.1 t70 -57.78 -139.64 0.0 OUTLIER 'General case' 0 CA--C 1.569 1.7 0 C-N-CA 123.682 0.793 . . . . 0.0 110.074 171.41 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.566 ' O ' ' HB2' ' A' ' 83' ' ' ASN . 1.2 tt 59.11 65.14 1.24 Allowed 'General case' 0 N--CA 1.465 0.307 0 O-C-N 121.461 -0.774 . . . . 0.0 110.804 -178.093 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.566 ' HB2' ' O ' ' A' ' 82' ' ' LEU . 41.4 t30 165.95 138.57 0.01 OUTLIER 'General case' 0 CA--C 1.504 -0.826 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.357 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 61.6 mt -62.09 -42.38 94.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -178.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.8 tt -68.54 -52.1 35.68 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.647 -175.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -59.1 -40.31 84.9 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.367 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -61.2 -45.08 96.06 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.161 0.505 . . . . 0.0 110.653 -178.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -70.23 -48.18 58.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.297 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -56.47 -50.72 70.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.523 -179.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.647 ' HE2' ' O ' ' A' ' 77' ' ' LEU . 4.1 m-30 -55.64 -44.72 77.43 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.816 176.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -59.79 -40.86 89.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.479 -179.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -65.64 -47.42 75.64 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.348 178.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.66 -46.29 84.42 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.715 0.293 . . . . 0.0 110.75 178.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.419 ' O ' ' HG3' ' A' ' 98' ' ' LYS . 50.2 mt-30 -58.61 -38.63 78.4 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.169 177.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.52 ' O ' HG13 ' A' ' 99' ' ' ILE . 97.6 m -60.88 -49.17 78.54 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.827 179.188 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 81.9 mt -67.98 -37.16 81.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.185 -178.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.441 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 43.3 m -58.12 -48.97 78.58 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.8 179.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 94' ' ' GLN . 95.4 mttt -65.07 -32.47 74.2 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.164 -178.355 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.52 HG13 ' O ' ' A' ' 95' ' ' THR . 72.0 mt -67.49 -46.0 84.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-O 120.998 0.428 . . . . 0.0 110.244 177.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -61.58 -45.64 93.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.433 -179.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 97' ' ' SER . 97.2 mt -59.8 -41.94 92.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.478 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -65.39 -40.13 93.08 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.215 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -68.6 -36.33 78.54 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 30.8 tp -65.44 -44.23 87.96 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 121.233 0.539 . . . . 0.0 109.885 178.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -59.24 -30.24 68.11 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.064 176.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -68.31 -32.43 72.56 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 176.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 17.6 m -63.44 -49.36 74.01 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 176.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -53.06 -46.31 68.49 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.722 175.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -59.59 -40.63 88.07 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.889 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.6 tppt? -64.55 -49.24 72.0 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.764 -178.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 7.7 p -67.69 -39.67 82.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.499 -177.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 17.5 pttp -69.38 -20.59 63.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.889 0.376 . . . . 0.0 110.544 178.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -77.29 -30.06 54.03 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.054 178.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.4 mp -70.92 119.17 16.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 CA-C-O 121.811 0.815 . . . . 0.0 111.405 -178.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 14.9 pm0 -76.91 117.7 18.77 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.763 -1.108 . . . . 0.0 110.441 175.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.478 HG23 ' O ' ' A' ' 47' ' ' LYS . 11.7 p -118.45 -170.25 1.86 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.54 0.21 . . . . 0.0 111.369 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 55.4 tp60 . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.456 -0.783 . . . . 0.0 110.342 -178.516 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 . . . . . 0 N--CA 1.472 0.643 0 CA-C-O 121.037 0.446 . . . . 0.0 109.92 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -71.9 124.75 25.55 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.165 -178.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.5 p-80 -139.47 70.01 1.37 Allowed 'General case' 0 C--N 1.312 -1.051 0 CA-C-O 121.974 0.892 . . . . 0.0 109.706 177.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.438 ' HB2' ' HD2' ' A' ' 5' ' ' PRO . 0.8 OUTLIER -84.18 163.1 49.46 Favored Pre-proline 0 C--N 1.318 -0.768 0 CA-C-N 114.603 -1.18 . . . . 0.0 110.927 179.311 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.438 ' HD2' ' HB2' ' A' ' 4' ' ' LYS . 21.1 Cg_endo -62.66 -154.88 0.02 OUTLIER 'Trans proline' 0 CA--C 1.547 1.131 0 C-N-CA 122.997 2.465 . . . . 0.0 112.938 176.689 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.574 ' HB2' ' HZ2' ' A' ' 6' ' ' LYS . 4.1 ttmp? -155.07 167.79 29.19 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.633 -177.242 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -67.28 164.95 17.26 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 178.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -48.69 102.49 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 122.951 0.5 . . . . 0.0 112.087 -179.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -61.5 -30.72 70.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.158 176.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -129.5 85.77 2.35 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.831 177.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -47.26 123.92 6.07 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.426 176.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 45.2 t-20 -139.13 125.07 19.82 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.956 -178.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -106.18 165.45 11.23 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.702 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -55.88 135.29 52.18 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.242 0.544 . . . . 0.0 111.998 177.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -72.15 -22.54 61.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.656 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 49.6 m-70 -81.95 98.85 8.78 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.677 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.522 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 54.5 tp -172.92 114.16 0.26 Allowed 'General case' 0 C--O 1.24 0.597 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.39 179.025 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 77' ' ' LEU . 64.2 mt -60.19 -50.08 75.1 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.507 -177.041 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.417 HG22 HD12 ' A' ' 19' ' ' ILE . 18.2 mm -59.24 -33.63 51.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.245 179.035 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.522 ' HB2' ' HB3' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -59.09 -51.83 68.36 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.5 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -59.82 -38.38 81.82 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.353 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.08 -38.15 69.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.516 0.674 . . . . 0.0 109.958 -179.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.59 -34.92 79.39 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.752 178.618 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.17 -46.01 71.91 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.349 178.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.478 ' O ' ' HG2' ' A' ' 28' ' ' LYS . . . -60.98 -46.5 90.49 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 178.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.3 pt -63.87 -35.59 73.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.057 -0.657 . . . . 0.0 110.71 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.412 ' O ' ' HD2' ' A' ' 31' ' ' HIS . 49.3 tp10 -60.24 -50.46 73.58 Favored 'General case' 0 C--O 1.247 0.956 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.119 177.304 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.478 ' HG2' ' O ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -64.23 -42.71 96.44 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 120.464 -0.495 . . . . 0.0 109.878 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.73 -43.89 96.13 Favored Glycine 0 C--N 1.341 0.81 0 CA-C-N 116.361 -0.381 . . . . 0.0 113.096 179.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.41 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 41.0 mt-10 -57.31 -48.48 78.83 Favored 'General case' 0 CA--C 1.508 -0.673 0 CA-C-O 120.747 0.308 . . . . 0.0 111.213 179.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.412 ' HD2' ' O ' ' A' ' 27' ' ' GLU . 31.4 m-70 -67.31 -32.79 74.01 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.539 -0.464 . . . . 0.0 111.33 -178.063 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -69.1 -45.28 70.61 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 176.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.403 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 1.8 tm? -61.06 -51.43 69.21 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.727 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 30' ' ' GLU . 42.1 mt -63.85 -29.39 70.58 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 120.927 0.394 . . . . 0.0 110.347 -179.255 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -66.37 -54.14 27.88 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.251 177.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.0 mt -61.01 -32.43 72.02 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.571 -179.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' A' ' 33' ' ' LEU . 87.3 mt-30 -61.66 -34.28 75.44 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.182 0.515 . . . . 0.0 110.265 177.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -70.48 -39.25 74.33 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.102 177.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -62.8 -42.17 99.59 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 177.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -50.13 -51.42 43.38 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.527 176.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -56.36 -43.51 79.21 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-O 120.963 0.411 . . . . 0.0 110.978 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -64.45 -45.94 85.28 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 121.452 0.644 . . . . 0.0 110.148 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 39.8 tp -56.27 -41.53 75.98 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.936 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -57.81 -34.68 69.9 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.858 0.361 . . . . 0.0 111.109 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -80.03 -44.9 19.31 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.035 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -77.39 -35.9 53.96 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -176.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.402 ' O ' HG22 ' A' ' 116' ' ' THR . 43.0 mmtm 58.53 21.55 8.72 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.576 -175.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.0 t -68.9 124.9 24.97 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.303 -176.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.594 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -63.61 -39.87 95.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.564 176.538 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -65.66 -45.92 81.13 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.116 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.423 ' O ' HG13 ' A' ' 55' ' ' ILE . 46.9 tp -62.87 -41.34 99.35 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 178.487 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -58.13 -43.94 87.53 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.896 178.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.76 ' O ' ' HG2' ' A' ' 57' ' ' ARG . 12.3 mm-40 -59.22 -51.21 70.96 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.621 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -63.69 -41.79 98.1 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.718 0.294 . . . . 0.0 110.616 -177.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.505 ' O ' ' HB2' ' A' ' 59' ' ' LEU . 81.8 mt -59.28 -41.36 83.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.325 179.078 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 80.6 mt -72.26 -36.56 56.09 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 178.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.76 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 31.3 mmt180 -66.45 -52.2 48.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.016 -178.109 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.47 -32.99 74.71 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.998 179.464 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.505 ' HB2' ' O ' ' A' ' 55' ' ' ILE . 5.7 tt -62.6 -46.66 87.28 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 177.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -59.01 -45.74 89.95 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.43 -178.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 57' ' ' ARG . 61.6 t -62.16 -47.96 90.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.949 0.404 . . . . 0.0 111.202 -179.397 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.5 t -66.83 -39.83 84.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.721 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 43.6 t -61.99 -41.59 98.21 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.051 0.453 . . . . 0.0 109.995 178.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.45 -49.57 73.15 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.61 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 22.4 ptp -64.74 -35.67 81.83 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.554 -0.459 . . . . 0.0 110.62 -178.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.4 mp -67.6 -46.94 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.094 178.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -62.31 -35.13 78.09 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.188 0.518 . . . . 0.0 110.094 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.27 -43.74 94.78 Favored Glycine 0 N--CA 1.438 -1.179 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.74 178.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 73' ' ' LEU . . . -70.27 -41.55 73.29 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 115.867 -0.167 . . . . 0.0 111.062 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -57.16 -43.21 82.32 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.226 0.536 . . . . 0.0 110.146 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.72 -46.61 73.92 Favored Glycine 0 CA--C 1.525 0.676 0 CA-C-N 115.189 -0.914 . . . . 0.0 112.701 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.53 -29.35 64.66 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-O 121.207 0.527 . . . . 0.0 111.33 -176.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.611 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 1.3 mm? -73.22 -56.45 5.07 Favored 'General case' 0 CA--C 1.5 -0.972 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.332 -174.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -56.68 -45.49 81.71 Favored 'General case' 0 C--O 1.215 -0.716 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.041 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 52.8 ttp180 -53.79 -47.83 70.39 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.75 -179.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.92 -56.22 4.78 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -179.025 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 4.3 pp -58.47 -26.2 63.12 Favored 'General case' 0 C--O 1.217 -0.622 0 N-CA-C 112.789 0.662 . . . . 0.0 112.789 -176.144 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.434 ' N ' HD13 ' A' ' 77' ' ' LEU . 11.0 mmmm -72.35 -31.77 65.91 Favored 'General case' 0 N--CA 1.435 -1.212 0 CA-C-O 121.077 0.465 . . . . 0.0 111.575 -178.152 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -83.31 -27.72 29.58 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.997 -177.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 15.4 m -103.0 77.67 1.58 Allowed 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.372 -0.974 . . . . 0.0 108.372 175.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -144.86 125.05 13.69 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 -175.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.506 ' O ' ' HB2' ' A' ' 83' ' ' ASN . 33.6 tp -163.47 78.77 0.43 Allowed 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 176.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.506 ' HB2' ' O ' ' A' ' 82' ' ' LEU . 19.9 t-20 171.9 126.9 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.369 -175.42 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.547 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 41.2 mm -56.82 -39.29 63.54 Favored 'Isoleucine or valine' 0 C--O 1.241 0.625 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.774 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -71.57 -40.76 69.73 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -177.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.439 ' HB2' ' HB3' ' A' ' 83' ' ' ASN . 11.3 mm-40 -61.13 -45.48 94.47 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.214 177.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.547 ' HG3' ' O ' ' A' ' 84' ' ' ILE . 6.6 ppt_? -62.52 -32.55 73.51 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 120.166 -0.614 . . . . 0.0 110.577 -178.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -69.76 -41.9 74.58 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.391 177.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -59.03 -49.34 78.25 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.308 0.575 . . . . 0.0 109.532 177.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -55.97 -47.59 77.38 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.277 178.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -56.0 -46.71 78.66 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.72 178.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -63.33 -48.84 76.34 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.079 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.43 -44.88 85.04 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.129 0.49 . . . . 0.0 110.527 179.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -60.35 -42.19 95.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.858 177.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.502 ' O ' HG13 ' A' ' 99' ' ' ILE . 63.1 m -58.92 -53.36 59.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.27 177.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 86.7 mt -68.93 -39.26 79.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.881 -175.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.424 ' O ' HD21 ' A' ' 101' ' ' LEU . 31.6 p -60.84 -51.1 70.76 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -177.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -67.45 -29.61 69.11 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 120.562 -0.455 . . . . 0.0 111.38 -178.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 95' ' ' THR . 74.7 mt -64.16 -45.33 96.72 Favored 'Isoleucine or valine' 0 C--N 1.343 0.295 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 175.098 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 69.0 tp -62.8 -45.96 90.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.138 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.424 HD21 ' O ' ' A' ' 97' ' ' SER . 4.1 mm? -60.38 -43.29 96.74 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.965 179.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 22.2 ttpp -60.3 -52.21 66.23 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.231 178.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.65 -34.06 70.79 Favored 'General case' 0 C--O 1.242 0.687 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 61.1 tp -63.45 -48.0 79.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.992 0.425 . . . . 0.0 110.132 177.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.444 ' O ' ' HG3' ' A' ' 109' ' ' GLN . 95.0 mttt -60.62 -32.07 71.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.159 178.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -62.73 -42.23 99.56 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.538 0.685 . . . . 0.0 109.516 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.502 ' O ' HG22 ' A' ' 111' ' ' VAL . 10.8 m -66.79 -47.13 73.07 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.133 -0.94 . . . . 0.0 109.966 179.504 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -51.75 -52.07 51.48 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 122.448 0.299 . . . . 0.0 111.45 177.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 105' ' ' LYS . 77.4 mt-30 -54.68 -41.85 70.7 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.266 178.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.8 ttmm -62.92 -45.49 92.25 Favored 'General case' 0 N--CA 1.438 -1.039 0 CA-C-O 121.385 0.612 . . . . 0.0 110.611 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 107' ' ' THR . 99.0 t -58.83 -51.83 67.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.684 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 109' ' ' GLN . 13.5 ptmm? -69.1 -21.81 64.02 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.454 -178.571 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -79.15 -21.62 46.24 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.3 mp -71.49 120.48 19.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 174.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -71.19 123.18 21.61 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.083 0.468 . . . . 0.0 111.127 177.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.402 HG22 ' O ' ' A' ' 47' ' ' LYS . 60.5 p -115.95 -174.49 2.55 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.74 177.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 . . . . . 0 C--O 1.253 1.268 0 C-N-CA 123.194 0.598 . . . . 0.0 110.91 -179.312 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.752 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -134.99 145.41 48.08 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.971 -178.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -91.42 97.28 10.98 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.359 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.483 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -67.07 155.32 90.66 Favored Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -176.453 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -73.78 46.05 1.2 Allowed 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 123.335 2.69 . . . . 0.0 113.004 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -119.35 175.19 5.94 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -178.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -71.94 102.85 3.03 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 175.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -174.61 120.59 0.24 Allowed 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.097 -177.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -109.57 -20.21 12.94 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.257 -178.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -91.37 121.07 32.77 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.569 0.699 . . . . 0.0 112.79 -174.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.4 ttp180 -79.32 -36.7 39.14 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.093 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -153.03 125.72 8.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.15 -178.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -90.9 -79.93 0.35 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.044 177.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -73.37 143.56 46.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.553 177.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -57.6 -53.81 53.95 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -178.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 29.7 m80 -85.54 5.61 30.73 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.306 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.414 ' HA ' ' HB2' ' A' ' 20' ' ' GLU . 42.6 mt 44.97 48.4 9.38 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.747 1.018 . . . . 0.0 113.747 174.504 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.1 mt -58.39 -82.12 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 121.349 0.595 . . . . 0.0 111.522 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.542 HD11 ' CD1' ' A' ' 90' ' ' TYR . 27.4 mm -66.54 -25.63 35.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.12 0.486 . . . . 0.0 109.915 178.511 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.414 ' HB2' ' HA ' ' A' ' 17' ' ' LEU . 33.2 mm-40 -57.33 -53.46 57.87 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.056 177.352 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -61.88 -44.4 96.88 Favored 'General case' 0 CA--C 1.501 -0.925 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.953 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.78 -52.83 62.61 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.156 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -66.83 -40.91 88.15 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -69.74 -40.29 76.28 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 119.722 -0.791 . . . . 0.0 111.057 -179.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.13 -41.79 98.6 Favored 'General case' 0 C--O 1.225 -0.214 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 178.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.2 pt -68.6 -35.78 71.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 C-N-CA 120.418 -0.513 . . . . 0.0 111.306 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.62 -47.67 77.72 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 120.911 0.386 . . . . 0.0 110.334 176.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -65.08 -45.08 86.71 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.442 ' O ' ' HG3' ' A' ' 32' ' ' GLN . . . -58.75 -44.86 95.56 Favored Glycine 0 N--CA 1.444 -0.798 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.853 179.285 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.407 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 38.4 tt0 -61.51 -47.82 83.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.132 0.491 . . . . 0.0 110.91 -179.512 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -64.04 -45.1 90.33 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.585 -176.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.446 ' CD ' HG13 ' A' ' 62' ' ' VAL . 4.5 pp0? -71.25 -31.7 67.84 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.606 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.527 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 2.2 tm? -66.85 -46.34 75.38 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 178.364 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 30' ' ' GLU . 95.1 mt -65.01 -30.12 71.08 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 178.22 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -66.29 -55.94 13.63 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.099 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.441 ' CD1' HG23 ' A' ' 107' ' ' THR . 4.7 pp -62.82 -28.01 69.71 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.617 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.527 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 74.1 mm-40 -53.11 -39.84 63.73 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -64.9 -44.8 88.4 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.973 177.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -55.14 -52.6 62.78 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.063 178.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -50.44 -51.88 42.84 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.232 178.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -60.45 -39.07 86.23 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.269 0.557 . . . . 0.0 110.978 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -63.24 -41.2 99.06 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.351 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.7 tp -64.57 -35.19 80.18 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 122.481 0.312 . . . . 0.0 111.774 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -58.79 -33.8 70.75 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.146 0.498 . . . . 0.0 110.391 -178.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -84.07 -45.75 12.71 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.643 -179.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -74.18 -34.34 63.74 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 120.778 0.323 . . . . 0.0 111.461 -176.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.536 ' O ' HG21 ' A' ' 116' ' ' THR . 7.3 tppt? 57.33 21.3 6.62 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.678 -176.424 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.8 t -66.58 119.14 11.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.93 -179.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.509 ' HD2' ' H ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -61.97 -42.22 98.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.003 178.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.509 ' H ' ' HD2' ' A' ' 49' ' ' LYS . 4.3 pt-20 -67.78 -37.05 81.54 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 178.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 51.8 tp -63.62 -42.3 98.2 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.603 -0.439 . . . . 0.0 109.857 175.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.422 ' O ' HG21 ' A' ' 56' ' ' ILE . 2.6 tt0 -57.36 -43.76 83.78 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.507 176.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -56.87 -48.6 77.74 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.63 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.475 ' HB3' ' HZ2' ' A' ' 54' ' ' LYS . 3.4 mmmp? -64.07 -45.37 89.04 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.984 -179.459 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 82.0 mt -63.04 -52.0 64.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.194 -177.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.422 HG21 ' O ' ' A' ' 52' ' ' GLN . 16.3 tt -68.81 -33.18 57.99 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 C-N-CA 120.462 -0.495 . . . . 0.0 111.338 -178.028 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -69.22 -43.93 73.1 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.912 -0.131 . . . . 0.0 111.2 179.026 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -65.96 -33.68 76.37 Favored 'General case' 0 CA--C 1.517 -0.299 0 C-N-CA 119.986 -0.686 . . . . 0.0 110.154 177.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.408 ' O ' HD12 ' A' ' 59' ' ' LEU . 2.3 tm? -63.86 -46.23 85.92 Favored 'General case' 0 C--O 1.221 -0.431 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 177.399 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.546 ' HA ' ' SG ' ' A' ' 63' ' ' CYS . 22.9 t70 -57.73 -44.59 86.12 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.257 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 50.6 t -61.03 -47.66 92.58 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.195 178.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.446 HG13 ' CD ' ' A' ' 32' ' ' GLN . 89.7 t -71.57 -44.02 70.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -178.303 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.546 ' SG ' ' HA ' ' A' ' 60' ' ' ASP . 26.1 p -63.7 -37.5 87.58 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 119.795 -0.762 . . . . 0.0 110.215 -179.24 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.81 -43.96 82.46 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.933 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 21.3 ptp -70.62 -38.86 73.99 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.405 -0.518 . . . . 0.0 110.198 -179.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.5 ' O ' ' HB2' ' A' ' 70' ' ' GLN . 1.5 mp -63.41 -42.95 98.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.837 178.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -69.98 -36.94 75.58 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 120.813 0.339 . . . . 0.0 111.312 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.73 -47.19 69.19 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.091 -178.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.33 -37.78 80.88 Favored 'General case' 0 C--O 1.217 -0.627 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.5 ' HB2' ' O ' ' A' ' 66' ' ' ILE . 0.1 OUTLIER -60.89 -42.39 97.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.165 0.507 . . . . 0.0 109.671 -179.757 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -68.8 -45.81 63.28 Favored Glycine 0 CA--C 1.524 0.597 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.789 -178.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.99 -35.05 71.95 Favored 'General case' 0 C--O 1.249 1.042 0 CA-C-O 121.362 0.601 . . . . 0.0 111.029 -176.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 27.4 tp -74.17 -48.84 26.52 Favored 'General case' 0 CA--C 1.502 -0.885 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.011 -174.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.491 ' HA ' ' HG ' ' A' ' 77' ' ' LEU . 0.6 OUTLIER -59.19 -39.05 81.35 Favored 'General case' 0 N--CA 1.437 -1.116 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.894 -179.116 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.43 ' HA ' ' NE ' ' A' ' 75' ' ' ARG . 0.5 OUTLIER -59.14 -39.67 83.1 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.322 178.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -68.9 -56.69 7.1 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.726 0.298 . . . . 0.0 110.902 177.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.491 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 4.0 pp -63.34 -20.21 65.31 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -177.126 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -68.17 -9.02 43.68 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 -177.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -49.13 -60.04 3.13 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -174.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 28.1 m -161.18 83.97 0.65 Allowed 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 121.084 -0.246 . . . . 0.0 110.97 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.531 ' HB3' ' CE2' ' A' ' 90' ' ' TYR . 2.0 p30 -80.16 56.09 2.35 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 177.464 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.563 ' O ' ' HB2' ' A' ' 83' ' ' ASN . 56.2 tp -89.97 101.97 14.68 Favored 'General case' 0 N--CA 1.445 -0.685 0 O-C-N 121.588 -0.695 . . . . 0.0 109.767 -178.644 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.563 ' HB2' ' O ' ' A' ' 82' ' ' LEU . 21.2 t-20 163.97 139.41 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.466 0 O-C-N 123.95 0.782 . . . . 0.0 110.039 -177.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 51.2 mm -56.15 -49.56 75.37 Favored 'Isoleucine or valine' 0 C--O 1.244 0.785 0 CA-C-N 116.281 -0.418 . . . . 0.0 112.093 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.1 tt -73.1 -48.59 34.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.439 -175.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -56.87 -49.54 75.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.499 -178.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -60.4 -39.58 87.87 Favored 'General case' 0 C--O 1.226 -0.132 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.872 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -62.18 -41.47 98.36 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.523 178.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.94 -48.19 74.99 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.687 179.347 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.542 ' CD1' HD11 ' A' ' 19' ' ' ILE . 3.6 m-30 -54.82 -53.95 48.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.102 178.001 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -56.69 -47.14 80.57 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.565 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -65.22 -45.77 83.35 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.329 -178.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.23 -46.69 82.74 Favored 'General case' 0 C--N 1.341 0.229 0 CA-C-O 120.632 0.253 . . . . 0.0 111.015 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 -62.82 -37.98 88.93 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.529 178.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.506 ' O ' HG13 ' A' ' 99' ' ' ILE . 89.2 m -59.17 -51.35 70.38 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.574 178.615 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 98.3 mt -69.9 -36.77 75.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.936 -178.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 23.2 t -58.93 -50.58 73.52 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.552 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -63.58 -34.4 77.73 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.245 -179.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 95' ' ' THR . 74.5 mt -63.53 -42.85 97.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-O 121.069 0.461 . . . . 0.0 109.851 177.287 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.411 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 87.8 mt -63.86 -40.41 96.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.783 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 83.1 mt -60.77 -44.56 96.61 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.74 178.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -65.48 -33.99 77.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.222 179.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.41 ' O ' ' HB3' ' A' ' 106' ' ' GLU . 7.9 t70 -71.4 -42.09 68.8 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.368 -0.533 . . . . 0.0 109.891 179.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 100' ' ' LEU . 96.3 mt -57.65 -44.87 85.97 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.851 0.358 . . . . 0.0 110.984 175.376 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.416 ' O ' ' HG3' ' A' ' 108' ' ' GLU . 66.3 mttm -61.73 -30.61 70.89 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.046 0.451 . . . . 0.0 111.255 177.507 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.41 ' HB3' ' O ' ' A' ' 103' ' ' ASP . 17.8 tp10 -68.31 -43.07 78.43 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.829 177.384 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.441 HG23 ' CD1' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -69.96 -48.96 56.24 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.232 -179.082 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -53.98 -41.62 68.07 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.592 0.234 . . . . 0.0 111.23 177.716 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.535 ' O ' ' HG2' ' A' ' 112' ' ' LYS . 51.5 tt0 -63.08 -38.95 93.22 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-O 120.755 0.312 . . . . 0.0 110.919 177.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.461 ' O ' ' HB3' ' A' ' 113' ' ' ASP . 31.7 mttp -67.56 -45.9 74.27 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -179.114 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 7.6 p -64.34 -40.61 89.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.917 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.535 ' HG2' ' O ' ' A' ' 109' ' ' GLN . 10.7 ptmm? -73.27 -18.91 61.17 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.114 0.483 . . . . 0.0 110.348 177.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.461 ' HB3' ' O ' ' A' ' 110' ' ' LYS . 17.9 t70 -71.57 -32.72 68.39 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.778 178.464 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.3 mp -72.93 123.69 28.25 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 CA-C-O 121.853 0.835 . . . . 0.0 111.04 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -80.3 119.31 22.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.784 -1.098 . . . . 0.0 109.565 178.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.536 HG21 ' O ' ' A' ' 47' ' ' LYS . 18.5 p -122.83 177.1 5.63 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 112.562 0.578 . . . . 0.0 112.562 -177.384 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 . . . . . 0 C--O 1.25 1.114 0 CA-C-N 115.155 -0.929 . . . . 0.0 111.089 179.754 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 . . . . . 0 N--CA 1.476 0.873 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -85.48 147.73 26.32 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.181 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.2 p80 -158.59 146.93 18.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.054 0.454 . . . . 0.0 111.888 -178.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -119.64 137.94 26.12 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.705 -178.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -67.22 -83.94 0.01 OUTLIER 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 122.366 2.044 . . . . 0.0 110.967 176.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.508 ' HG2' ' H ' ' A' ' 7' ' ' LYS . 28.2 ttmt -108.92 -172.53 2.07 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 177.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.508 ' H ' ' HG2' ' A' ' 6' ' ' LYS . 17.4 ptpt -69.63 -57.06 5.63 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.132 0.789 . . . . 0.0 113.132 -176.326 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -101.52 23.18 11.5 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 121.307 0.575 . . . . 0.0 110.93 -177.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -101.21 33.9 2.73 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.754 -177.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -57.48 -76.66 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.336 177.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 65.0 mtt-85 56.63 35.52 26.24 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.495 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -71.24 -176.66 1.52 Allowed 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.447 178.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.58 -162.52 0.42 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.081 178.464 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 46.08 45.48 12.48 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 123.588 0.555 . . . . 0.0 111.065 -176.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -52.25 -46.85 65.95 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.188 0.518 . . . . 0.0 110.367 -179.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -142.83 149.31 38.43 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 176.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.434 ' O ' ' HB3' ' A' ' 20' ' ' GLU . 18.9 tp -174.99 102.35 0.09 Allowed 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 177.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.4 mp -67.58 -36.21 80.47 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.987 -175.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.56 HD11 ' CD1' ' A' ' 90' ' ' TYR . 20.2 mm -65.4 -32.81 59.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.198 176.678 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.434 ' HB3' ' O ' ' A' ' 17' ' ' LEU . 9.6 tp10 -60.57 -50.63 72.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.547 177.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -62.71 -31.12 71.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.873 179.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.87 -45.18 36.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.52 0.676 . . . . 0.0 110.011 -179.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.46 -34.71 78.53 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.666 179.468 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -70.04 -45.24 67.56 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.554 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.62 -47.61 85.46 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.3 pt -64.35 -35.72 75.03 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.351 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.137 -179.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -59.98 -50.32 74.21 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.422 0.63 . . . . 0.0 109.328 177.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -65.55 -47.61 75.25 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.836 -178.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.409 ' O ' ' HG3' ' A' ' 32' ' ' GLN . . . -60.71 -43.49 99.02 Favored Glycine 0 C--O 1.222 -0.595 0 CA-C-N 115.92 -0.582 . . . . 0.0 113.049 -179.256 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -63.33 -40.18 96.6 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.239 0.542 . . . . 0.0 110.478 -178.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.433 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 20.6 t-80 -66.22 -48.58 70.1 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.893 -178.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -67.2 -28.53 68.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.265 179.136 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.61 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 1.9 tm? -69.15 -49.35 57.69 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 178.061 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 31' ' ' HIS . 4.6 pp -65.27 -30.3 71.16 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.512 -178.544 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 92.8 t80 -67.0 -47.67 70.78 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.98 177.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.414 HD11 ' O ' ' A' ' 36' ' ' LEU . 2.3 tm? -60.75 -35.52 76.6 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.423 -179.395 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.61 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 13.6 mm-40 -58.88 -32.64 69.67 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.011 0.434 . . . . 0.0 110.88 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -71.4 -33.24 69.3 Favored 'General case' 0 C--O 1.246 0.903 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.566 178.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -71.28 -42.13 69.13 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.529 178.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.9 tp -52.5 -45.12 66.07 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.574 174.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -57.13 -39.58 75.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.055 177.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -67.02 -42.06 85.56 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.741 176.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.6 tp -56.54 -40.15 74.6 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.954 178.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.478 ' O ' ' HE3' ' A' ' 47' ' ' LYS . 18.6 m-80 -58.52 -36.74 74.32 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.085 0.469 . . . . 0.0 110.804 177.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -82.02 -46.39 14.01 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.773 -178.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -76.53 -35.76 58.1 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 -176.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.478 ' HE3' ' O ' ' A' ' 44' ' ' ASN . 34.2 mmtp 58.7 22.74 10.3 Favored 'General case' 0 N--CA 1.483 1.222 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.517 -177.106 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.9 t -69.08 121.44 16.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.669 -178.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.611 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -60.92 -45.19 95.67 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.915 179.406 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.527 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 9.1 pt-20 -68.04 -30.99 70.34 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.668 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 59.1 tp -68.52 -45.04 73.3 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 177.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -57.32 -44.65 84.36 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.278 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.708 ' O ' ' HG2' ' A' ' 57' ' ' ARG . 35.2 tt0 -63.26 -47.7 81.3 Favored 'General case' 0 N--CA 1.429 -1.505 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.11 -178.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.527 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 44.3 mtmt -63.08 -42.47 99.64 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.56 -179.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 64.5 mt -58.08 -45.46 88.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.978 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 15.5 tt -71.76 -30.31 37.34 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.046 178.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.708 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 10.2 mmt180 -67.12 -52.74 37.96 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.892 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -69.41 -33.43 72.99 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.472 -178.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 51.3 tp -63.38 -43.52 97.37 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -63.45 -48.84 76.06 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.247 -178.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 31.5 m -63.67 -38.22 81.71 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 C-N-CA 120.614 -0.434 . . . . 0.0 111.692 -177.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 89.1 t -71.53 -37.25 63.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 177.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.504 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 50.8 t -62.98 -42.77 99.93 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 178.48 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.7 -49.81 64.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.665 -177.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.1 ptp -61.04 -38.0 84.62 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.509 -179.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.4 mp -66.66 -41.64 88.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.993 178.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' A' ' 63' ' ' CYS . 44.1 mt-10 -64.31 -37.01 85.97 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 121.16 0.505 . . . . 0.0 110.669 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.78 -46.59 73.57 Favored Glycine 0 N--CA 1.443 -0.877 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.469 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.45 -42.26 79.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.898 -0.151 . . . . 0.0 110.955 -178.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.433 ' HG2' ' HA ' ' A' ' 67' ' ' GLU . 18.0 pt20 -64.11 -39.73 94.67 Favored 'General case' 0 C--O 1.217 -0.638 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.58 -178.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.96 -43.24 91.77 Favored Glycine 0 C--O 1.243 0.673 0 C-N-CA 121.129 -0.558 . . . . 0.0 112.194 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.14 -51.8 54.48 Favored 'General case' 0 C--O 1.244 0.778 0 CA-C-O 121.369 0.604 . . . . 0.0 109.807 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.612 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 34.0 tp -58.86 -42.94 90.57 Favored 'General case' 0 C--O 1.219 -0.53 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.158 179.545 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.481 ' CD ' ' HZ3' ' A' ' 78' ' ' LYS . 5.9 mm-40 -53.99 -52.29 61.19 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 120.812 0.339 . . . . 0.0 111.475 179.501 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 -58.74 -38.29 78.06 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -73.51 -56.12 5.45 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.331 -179.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 2.9 pp -61.67 -28.07 69.13 Favored 'General case' 0 C--O 1.214 -0.768 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -178.314 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.6 ' N ' HD13 ' A' ' 77' ' ' LEU . 11.2 mptt -64.75 -43.84 92.01 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 121.398 0.618 . . . . 0.0 110.694 -177.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 80.2 mtm180 -78.76 -34.78 45.42 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.424 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.7 m -94.53 67.59 3.39 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.348 178.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.453 ' HB2' ' CE2' ' A' ' 90' ' ' TYR . 3.8 t70 -149.73 122.04 8.42 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 -176.304 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.556 ' O ' ' HB2' ' A' ' 83' ' ' ASN . 5.0 tt -165.76 93.83 0.57 Allowed 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 -178.408 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.556 ' HB2' ' O ' ' A' ' 82' ' ' LEU . 11.1 t-20 164.01 143.5 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.849 0 O-C-N 124.054 0.846 . . . . 0.0 110.063 -179.229 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 76.1 mt -63.05 -43.7 99.16 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 CA-C-O 120.817 0.341 . . . . 0.0 111.687 178.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.8 tt -69.55 -50.99 39.57 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.919 -0.401 . . . . 0.0 109.919 -177.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.464 ' HB2' ' HB3' ' A' ' 83' ' ' ASN . 0.7 OUTLIER -56.59 -39.5 73.64 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.015 178.565 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -57.71 -46.85 83.82 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.541 0.686 . . . . 0.0 110.266 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -61.93 -42.67 99.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.963 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -63.43 -43.54 97.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.95 178.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.56 ' CD1' HD11 ' A' ' 19' ' ' ILE . 3.4 m-85 -55.06 -55.53 30.02 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.919 175.65 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.02 -42.1 79.78 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.574 -179.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -65.57 -48.3 72.85 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.256 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.9 -40.81 90.05 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.144 0.497 . . . . 0.0 110.892 178.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -61.34 -43.26 99.18 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.566 178.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.445 ' O ' HG13 ' A' ' 99' ' ' ILE . 79.9 m -58.42 -47.15 84.87 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.182 177.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 92.7 mt -69.84 -42.1 74.06 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -177.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.3 p -60.77 -41.94 96.47 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.381 0.61 . . . . 0.0 111.01 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -59.48 -45.44 91.66 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.717 178.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 95' ' ' THR . 79.1 mt -60.36 -43.18 93.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.716 178.121 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 67.9 tp -59.65 -50.89 72.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.588 -179.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.427 ' O ' ' HG2' ' A' ' 105' ' ' LYS . 4.4 mm? -58.99 -44.06 91.53 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.656 -178.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -59.18 -47.03 86.82 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.709 178.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -59.42 -38.54 80.9 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 110.455 -0.202 . . . . 0.0 110.455 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 95.0 mt -63.44 -53.68 48.44 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.908 0.385 . . . . 0.0 110.771 179.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.478 ' O ' ' HB3' ' A' ' 108' ' ' GLU . 1.0 OUTLIER -62.62 -32.74 73.81 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.855 -178.063 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -65.55 -38.38 89.44 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 176.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.544 ' O ' HG21 ' A' ' 111' ' ' VAL . 57.1 m -63.13 -45.3 92.61 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.229 178.347 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.478 ' HB3' ' O ' ' A' ' 105' ' ' LYS . 18.7 tt0 -49.74 -51.98 34.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.525 175.569 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 105' ' ' LYS . 62.8 mt-30 -59.26 -39.29 82.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 178.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.452 ' O ' ' HB3' ' A' ' 113' ' ' ASP . 3.2 tppp? -68.56 -39.03 81.21 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.124 0.488 . . . . 0.0 111.688 -178.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.544 HG21 ' O ' ' A' ' 107' ' ' THR . 97.8 t -60.53 -43.3 94.13 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.395 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 177.097 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -71.87 -21.31 61.68 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.598 177.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.452 ' HB3' ' O ' ' A' ' 110' ' ' LYS . 23.3 t70 -68.5 -35.75 77.95 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.958 -179.182 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.445 HD11 ' OD1' ' A' ' 44' ' ' ASN . 1.7 mp -70.77 122.49 22.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.072 0.463 . . . . 0.0 110.454 178.73 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -78.91 122.75 26.51 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.742 177.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 65.9 p -115.96 -173.64 2.39 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.765 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.479 ' HB2' ' HD2' ' A' ' 49' ' ' LYS . 52.1 mt-30 . . . . . 0 C--O 1.241 0.611 0 CA-C-O 118.688 -0.672 . . . . 0.0 110.321 178.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 . . . . . 0 N--CA 1.476 0.835 0 CA-C-O 121.161 0.505 . . . . 0.0 110.039 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -70.11 98.7 1.36 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.378 -176.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -104.14 94.02 5.15 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.474 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -60.92 153.5 64.84 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.809 175.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -59.18 171.09 2.49 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 123.179 2.586 . . . . 0.0 113.086 -179.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.01 145.0 48.89 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.586 -176.051 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.517 ' HZ3' ' HB2' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -98.82 142.05 30.83 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 177.13 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -91.68 122.45 34.25 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -65.31 -26.84 68.24 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-O 121.042 0.449 . . . . 0.0 110.551 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -80.27 74.25 7.11 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-O 121.705 0.764 . . . . 0.0 110.932 179.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.5 tpt180 -132.5 94.65 3.46 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 114.849 -1.069 . . . . 0.0 108.178 177.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -116.55 157.36 25.39 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.516 -177.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -72.35 111.8 7.86 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.931 0.872 . . . . 0.0 111.73 -178.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -129.14 18.44 6.0 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.92 -1.036 . . . . 0.0 108.693 177.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -55.92 -30.81 62.2 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 114.851 -1.068 . . . . 0.0 111.989 -177.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 32.6 m170 70.77 49.79 0.37 Allowed 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 177.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.509 ' HB2' ' CG ' ' A' ' 20' ' ' GLU . 3.9 mm? -110.34 169.32 8.82 Favored 'General case' 0 C--O 1.211 -0.952 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.438 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.2 mp -50.85 -66.8 0.32 Allowed 'General case' 0 C--O 1.243 0.733 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -176.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.568 HD11 ' CD1' ' A' ' 90' ' ' TYR . 28.3 mm -67.8 -33.84 64.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.066 -179.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.509 ' CG ' ' HB2' ' A' ' 17' ' ' LEU . 13.2 mm-40 -61.3 -38.4 86.67 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 120.878 0.37 . . . . 0.0 110.454 178.71 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' A' ' 17' ' ' LEU . 15.7 mm100 -71.27 -30.37 66.21 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 121.148 0.499 . . . . 0.0 111.01 179.539 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.61 -45.33 38.1 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 121.707 0.765 . . . . 0.0 109.469 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -62.76 -38.1 89.25 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-N 114.464 -1.243 . . . . 0.0 110.402 178.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -66.95 -44.37 80.73 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.436 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.29 -44.92 96.42 Favored 'General case' 0 C--N 1.334 -0.082 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.8 pt -67.86 -31.54 52.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.62 -178.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -67.44 -45.95 74.54 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 176.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -65.37 -44.83 86.36 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.269 -179.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.2 -40.93 94.49 Favored Glycine 0 C--O 1.221 -0.669 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.917 178.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -62.48 -40.47 96.79 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.276 0.56 . . . . 0.0 110.365 179.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.34 -51.16 64.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.107 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.33 -29.17 65.81 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.432 -178.326 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -68.05 -50.64 53.97 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 179.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 pp -66.7 -30.1 70.26 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.345 0.593 . . . . 0.0 110.137 -179.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -68.99 -56.93 6.29 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.504 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.3 tt -63.63 -33.6 75.97 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.745 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -59.98 -38.31 82.2 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 178.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -65.86 -43.94 86.91 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.483 176.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -56.94 -46.42 82.08 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.496 176.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -52.92 -46.13 67.94 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.831 177.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -58.31 -41.46 84.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.247 0.546 . . . . 0.0 109.908 178.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -66.16 -37.43 85.63 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.865 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.1 tp -65.5 -31.48 72.57 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-O 120.61 0.243 . . . . 0.0 110.491 179.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -59.1 -36.2 74.72 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 121.231 0.539 . . . . 0.0 110.6 178.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -89.73 -39.96 12.82 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.571 179.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -75.34 -36.41 61.04 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -174.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp 55.86 18.96 3.25 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 -178.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.5 t -69.38 126.13 28.82 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 179.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.512 ' HD3' ' HB2' ' A' ' 117' ' ' GLN . 12.5 pttt -59.68 -42.38 92.78 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.209 175.685 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -60.18 -46.34 90.03 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.651 178.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.9 tp -62.73 -39.42 94.03 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.183 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -60.17 -48.5 81.46 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.598 177.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.555 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 39.4 mm-40 -58.42 -47.86 82.55 Favored 'General case' 0 C--O 1.224 -0.245 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.709 -178.656 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -63.4 -41.13 98.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.049 -179.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 70.4 mt -64.04 -53.11 47.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.333 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 14.1 tt -66.29 -34.88 73.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.361 -178.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.555 ' HB2' ' O ' ' A' ' 53' ' ' GLU . 2.3 mpt_? -65.57 -44.81 85.55 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 120.63 0.252 . . . . 0.0 110.348 179.083 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -70.33 -37.48 74.71 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.683 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.7 tt -62.83 -41.87 99.5 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -59.89 -48.75 80.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.327 178.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.448 HG22 ' O ' ' A' ' 57' ' ' ARG . 78.6 t -60.52 -47.26 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-O 120.963 0.411 . . . . 0.0 110.91 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 86.0 t -64.6 -40.78 90.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.412 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 42.7 t -62.98 -42.69 99.91 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.84 -49.32 68.58 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 122.554 0.342 . . . . 0.0 111.528 -179.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 21.4 ptp -62.12 -36.07 80.64 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.511 -0.475 . . . . 0.0 110.24 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.4 mp -67.23 -42.87 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.659 177.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -62.69 -42.99 99.92 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.779 0.323 . . . . 0.0 110.957 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.02 -47.4 74.14 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.977 -0.63 . . . . 0.0 113.117 -178.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.94 -42.6 80.74 Favored 'General case' 0 N--CA 1.451 -0.423 0 O-C-N 123.092 -0.064 . . . . 0.0 110.978 -178.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -63.04 -38.95 93.22 Favored 'General case' 0 C--O 1.221 -0.399 0 C-N-CA 120.524 -0.471 . . . . 0.0 110.695 -178.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -70.17 -45.27 56.78 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.402 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.98 -54.91 20.2 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-O 120.939 0.399 . . . . 0.0 110.633 -177.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.653 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 47.9 tp -54.89 -45.42 74.68 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.453 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.658 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 6.5 mm-40 -55.12 -53.66 53.13 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-O 120.654 0.264 . . . . 0.0 111.593 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 75' ' ' ARG . 55.7 mtt180 -57.45 -42.2 82.04 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -177.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -73.1 -52.15 15.36 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.84 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.653 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 2.9 pp -59.03 -21.79 59.66 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -179.562 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.658 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 59.2 mmtt -66.53 -15.84 63.69 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 120.687 0.28 . . . . 0.0 111.389 -178.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -66.84 -26.67 67.03 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.254 179.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 15.2 m -64.79 131.49 46.95 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.179 179.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -59.39 147.61 35.66 Favored 'General case' 0 C--O 1.243 0.714 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.407 -179.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.93 63.62 1.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 -176.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -66.33 163.96 17.02 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.347 178.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.7 mp -57.28 -53.71 40.09 Favored 'Isoleucine or valine' 0 C--O 1.247 0.947 0 CA-C-O 120.727 0.298 . . . . 0.0 111.498 -176.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 54.8 tp -73.09 -47.44 44.44 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.881 -178.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -57.02 -44.19 82.6 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.646 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -61.01 -42.52 98.62 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.183 0.516 . . . . 0.0 110.286 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -62.45 -50.1 72.82 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.781 178.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -60.78 -51.72 68.11 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.029 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.568 ' CD1' HD11 ' A' ' 19' ' ' ILE . 3.3 m-30 -55.19 -53.28 58.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.645 -179.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -56.29 -46.69 79.67 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.135 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -67.28 -38.01 84.37 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.425 -177.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.79 -48.9 75.02 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 121.193 0.521 . . . . 0.0 109.853 178.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -59.91 -38.45 82.36 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.111 178.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.483 ' O ' HG13 ' A' ' 99' ' ' ILE . 99.3 m -61.89 -49.05 77.74 Favored 'General case' 0 C--O 1.245 0.85 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.101 177.426 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 89.7 mt -70.03 -35.47 74.33 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.726 0.298 . . . . 0.0 110.71 -178.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.406 ' O ' HD21 ' A' ' 101' ' ' LEU . 22.9 t -57.73 -47.43 82.44 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.195 179.092 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.589 ' O ' ' HG3' ' A' ' 102' ' ' LYS . 51.1 mttp -64.11 -34.62 78.47 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.071 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 95' ' ' THR . 84.5 mt -63.41 -45.62 97.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-O 121.06 0.457 . . . . 0.0 110.257 179.265 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -60.52 -46.01 91.72 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.449 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.406 HD21 ' O ' ' A' ' 97' ' ' SER . 4.3 mm? -61.14 -41.68 97.18 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.674 -179.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.589 ' HG3' ' O ' ' A' ' 98' ' ' LYS . 9.3 mtmp? -61.04 -46.28 91.34 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.699 -0.401 . . . . 0.0 110.322 178.4 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.45 -36.49 82.6 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.776 178.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 37.3 tp -64.54 -46.68 81.8 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 121.228 0.537 . . . . 0.0 110.413 178.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.464 ' HZ1' ' HB3' ' A' ' 105' ' ' LYS . 2.7 mmmp? -61.86 -26.27 68.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 177.376 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.541 ' O ' ' HG2' ' A' ' 110' ' ' LYS . 10.0 tp10 -66.7 -42.72 85.99 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 175.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 8.2 p -68.37 -40.63 81.36 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.582 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -52.33 -47.41 66.04 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.338 0.59 . . . . 0.0 110.552 174.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.419 ' HA ' ' HE3' ' A' ' 112' ' ' LYS . 29.9 tt0 -61.35 -40.07 92.93 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.931 178.446 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.541 ' HG2' ' O ' ' A' ' 106' ' ' GLU . 74.9 mmtt -64.54 -48.78 73.8 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.966 0.413 . . . . 0.0 111.898 -179.062 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.6 p -62.52 -40.82 89.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.276 -178.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.419 ' HE3' ' HA ' ' A' ' 109' ' ' GLN . 16.4 pttp -73.56 -15.22 61.29 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 120.971 0.415 . . . . 0.0 110.93 177.658 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -79.88 -31.22 40.31 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.815 179.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.7 mp -74.49 115.37 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-O 121.131 0.491 . . . . 0.0 110.658 178.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -73.91 123.88 25.1 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.61 177.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 24.9 p -114.65 -173.65 2.34 Favored 'General case' 0 C--N 1.305 -1.348 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.208 178.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.512 ' HB2' ' HD3' ' A' ' 49' ' ' LYS . 76.5 mt-30 . . . . . 0 C--O 1.244 0.811 0 CA-C-O 118.384 -0.817 . . . . 0.0 110.417 -178.545 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.2 mt . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.585 HD11 ' CD1' ' A' ' 90' ' ' TYR . 35.3 mm -69.54 -29.32 41.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.551 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.679 ' HA ' ' ND2' ' A' ' 23' ' ' ASN . 11.2 mm-40 -65.57 -40.42 92.74 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.083 178.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.87 -48.59 76.08 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 178.122 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.409 ' O ' HG12 ' A' ' 26' ' ' ILE . . . -53.34 -48.77 68.22 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.539 178.734 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.679 ' ND2' ' HA ' ' A' ' 20' ' ' GLU . 10.9 p30 -71.98 -26.01 62.08 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 120.002 -0.679 . . . . 0.0 110.785 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -70.76 -51.6 26.12 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.837 178.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.23 -46.59 88.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.202 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.425 HG12 ' HA ' ' A' ' 23' ' ' ASN . 34.4 pt -66.33 -33.09 61.21 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.457 0 C-N-CA 120.416 -0.514 . . . . 0.0 111.756 -178.73 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -63.05 -44.48 95.74 Favored 'General case' 0 C--O 1.24 0.59 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 176.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -66.99 -46.02 75.85 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.379 178.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.56 -44.3 97.92 Favored Glycine 0 C--O 1.219 -0.829 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.731 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -58.87 -45.99 88.88 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.183 0.516 . . . . 0.0 110.506 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 -64.52 -42.78 95.56 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.381 -178.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.64 -33.43 62.55 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.096 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.465 HD23 HD23 ' A' ' 104' ' ' LEU . 2.3 tm? -64.67 -49.24 71.74 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 178.588 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 pp -65.88 -31.38 72.29 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.152 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -65.67 -55.61 16.55 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.501 179.268 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' A' ' 36' ' ' LEU . 3.3 mm? -66.38 -32.43 73.81 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.373 -178.491 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -64.96 -39.75 93.96 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 120.986 0.422 . . . . 0.0 110.376 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 28.2 m80 -66.66 -31.46 72.15 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 121.668 0.747 . . . . 0.0 109.389 174.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -70.15 -36.04 74.47 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.94 177.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.442 HD13 ' O ' ' A' ' 40' ' ' LEU . 1.4 tm? -53.25 -45.83 68.93 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 173.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -59.42 -41.2 88.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.238 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -68.6 -45.67 71.33 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.498 0.666 . . . . 0.0 110.02 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.427 HD22 HD12 ' A' ' 55' ' ' ILE . 52.9 tp -57.14 -40.55 77.42 Favored 'General case' 0 C--O 1.213 -0.822 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.886 177.081 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.537 ' O ' ' HE2' ' A' ' 47' ' ' LYS . 0.2 OUTLIER -61.63 -28.15 69.17 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-O 121.431 0.634 . . . . 0.0 110.418 -179.212 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -82.76 -45.19 14.69 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.911 177.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -75.68 -33.68 60.4 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.989 -0.55 . . . . 0.0 112.03 -176.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.537 ' HE2' ' O ' ' A' ' 44' ' ' ASN . 72.8 mmtt 57.13 19.57 4.89 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.211 -176.508 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 41.5 t -68.48 126.71 30.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.896 -176.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.61 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -63.53 -44.81 93.14 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.795 179.142 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -66.93 -36.78 83.0 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 121.057 -0.257 . . . . 0.0 111.087 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 50.8 tp -67.55 -39.45 84.98 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.331 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -59.04 -44.74 91.81 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.994 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -63.72 -45.55 89.44 Favored 'General case' 0 N--CA 1.432 -1.343 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.617 -178.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -61.74 -46.88 87.71 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.956 0.408 . . . . 0.0 110.342 178.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.427 HD12 HD22 ' A' ' 43' ' ' LEU . 68.4 mt -60.24 -49.11 85.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.714 -178.507 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 14.9 tt -68.31 -31.92 53.48 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.971 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -68.57 -44.66 73.95 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.297 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -71.1 -33.61 70.34 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.349 178.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.2 tt -63.17 -47.06 84.25 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 177.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -59.57 -53.53 57.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.785 -1.098 . . . . 0.0 112.469 -178.128 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 32.7 m -62.22 -39.44 84.03 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -176.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 84.1 t -73.79 -37.5 48.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.724 0.297 . . . . 0.0 110.485 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 46.1 t -62.61 -41.27 98.9 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.177 0.513 . . . . 0.0 109.785 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.29 -50.48 63.54 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.908 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.406 ' HG3' HD12 ' A' ' 66' ' ' ILE . 23.1 ptp -62.72 -39.06 92.87 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.588 -178.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.431 ' O ' ' HB2' ' A' ' 70' ' ' GLN . 1.4 mp -64.44 -43.0 96.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.23 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -69.4 -37.65 77.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.838 0.351 . . . . 0.0 111.513 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.32 -45.91 88.87 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.644 -0.789 . . . . 0.0 111.902 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.39 -37.13 74.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.571 -0.315 . . . . 0.0 110.194 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.47 ' OE1' ' HB2' ' A' ' 97' ' ' SER . 4.0 tt0 -63.09 -47.72 81.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.98 0.419 . . . . 0.0 110.214 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.34 -39.16 97.49 Favored Glycine 0 C--O 1.245 0.838 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.541 -177.601 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.51 -53.16 38.0 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 114.825 -0.687 . . . . 0.0 109.372 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.516 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 43.9 tp -55.55 -49.62 72.21 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.716 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.476 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 49.6 mt-10 -54.33 -50.22 67.9 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.063 0.458 . . . . 0.0 111.098 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -58.49 -43.4 89.01 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.707 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -70.02 -54.6 12.45 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.854 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 3.6 pp -56.0 -20.25 15.82 Favored 'General case' 0 C--O 1.222 -0.376 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.008 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 28.6 mmtm -67.72 -14.31 62.84 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 . . . . . 0 C--O 1.233 0.199 0 CA-C-O 121.101 0.477 . . . . 0.0 110.311 179.604 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 59.8 tp . . . . . 0 CA--C 1.514 -0.436 0 CA-C-O 120.892 0.377 . . . . 0.0 110.036 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -59.58 -37.11 77.63 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.472 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -56.95 -51.7 68.13 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.117 0.484 . . . . 0.0 110.168 176.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -59.38 -45.64 90.88 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.476 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -65.08 -47.31 77.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.382 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.585 ' CD1' HD11 ' A' ' 19' ' ' ILE . 4.4 m-30 -54.88 -52.72 61.97 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.041 0.448 . . . . 0.0 111.021 177.563 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -57.71 -36.95 72.69 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.175 178.518 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -69.64 -40.98 76.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.677 -179.061 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.99 -42.25 97.25 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.655 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -61.18 -38.16 85.52 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.841 177.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.461 ' O ' HG13 ' A' ' 99' ' ' ILE . 93.2 m -61.89 -50.54 71.81 Favored 'General case' 0 N--CA 1.436 -1.155 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.423 178.001 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 89.2 mt -71.78 -37.84 70.4 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.712 -176.444 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.47 ' HB2' ' OE1' ' A' ' 70' ' ' GLN . 16.3 p -61.91 -44.19 97.3 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 121.053 0.454 . . . . 0.0 110.715 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -59.67 -42.49 92.99 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.358 178.282 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 95' ' ' THR . 82.2 mt -62.26 -45.12 99.49 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 CA-C-O 121.343 0.592 . . . . 0.0 110.243 178.473 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.417 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 0.8 OUTLIER -58.81 -51.02 71.79 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.454 179.65 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 92.1 mt -59.61 -40.96 89.26 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.57 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -55.86 -52.71 63.11 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 176.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.3 -33.61 72.61 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 112.308 0.485 . . . . 0.0 112.308 -178.126 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.465 HD23 HD23 ' A' ' 33' ' ' LEU . 91.7 mt -61.51 -55.11 34.67 Favored 'General case' 0 CA--C 1.519 -0.238 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.399 177.803 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.459 ' O ' ' HB3' ' A' ' 108' ' ' GLU . 25.6 mtpp -68.56 -22.27 64.49 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.678 -178.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -71.38 -43.98 65.83 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 177.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 22.9 m -67.55 -39.38 84.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.185 -0.916 . . . . 0.0 108.573 176.19 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.459 ' HB3' ' O ' ' A' ' 105' ' ' LYS . 25.3 tt0 -51.47 -50.65 59.4 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.694 173.322 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.551 ' HA ' ' HD3' ' A' ' 112' ' ' LYS . 41.5 tt0 -54.06 -39.84 66.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.368 177.27 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.437 ' HB3' HD11 ' A' ' 40' ' ' LEU . 13.7 mptt -68.51 -48.4 64.48 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 13.9 p -62.82 -40.49 88.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.961 -178.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.551 ' HD3' ' HA ' ' A' ' 109' ' ' GLN . 14.5 ptmm? -70.99 -23.08 62.12 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.549 177.585 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -79.99 -25.77 40.17 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -178.233 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -73.54 122.8 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 178.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -79.48 123.35 27.47 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.305 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 64.6 p -116.04 178.28 4.37 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.273 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.652 -178.447 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.503 HD13 ' HA ' ' A' ' 77' ' ' LEU . 69.4 mt . . . . . 0 N--CA 1.466 0.349 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.572 HD11 ' CD1' ' A' ' 90' ' ' TYR . 24.1 mm -64.05 -37.08 78.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 C-N-CA 121.071 -0.252 . . . . 0.0 111.305 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -61.2 -46.12 91.76 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.071 0.463 . . . . 0.0 109.807 178.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -62.66 -31.39 72.26 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.356 178.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.79 -39.78 56.3 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.398 0.618 . . . . 0.0 110.187 178.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -65.14 -38.11 89.57 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 115.023 -0.989 . . . . 0.0 110.164 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -64.25 -48.34 76.16 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.052 177.459 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.85 -50.47 73.65 Favored 'General case' 0 CA--C 1.528 0.097 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 179.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 41.4 pt -64.77 -31.29 53.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.339 -178.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -62.98 -51.74 65.69 Favored 'General case' 0 C--O 1.246 0.897 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 176.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -61.69 -46.05 91.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.03 178.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.469 ' O ' ' HG3' ' A' ' 32' ' ' GLN . . . -59.36 -42.17 97.31 Favored Glycine 0 N--CA 1.447 -0.604 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.714 -179.704 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.515 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 11.4 tp10 -56.88 -55.88 28.77 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 123.263 0.625 . . . . 0.0 111.038 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -62.9 -41.93 99.61 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.035 -176.17 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.469 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 5.1 pp0? -69.99 -31.46 69.16 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 116.715 -0.22 . . . . 0.0 111.034 -178.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.532 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 1.4 tm? -67.27 -45.12 77.58 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.383 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 30' ' ' GLU . 62.0 mt -63.02 -31.44 72.58 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 178.684 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -64.78 -52.15 58.43 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.562 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.7 mt -61.74 -33.31 73.83 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.528 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.532 ' HG3' ' O ' ' A' ' 33' ' ' LEU . 91.7 mt-30 -58.39 -39.5 79.83 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.042 0.449 . . . . 0.0 110.191 178.132 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 48.4 m80 -67.33 -36.89 82.37 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.743 178.457 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -66.46 -42.76 87.08 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.148 178.141 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.422 HD23 HG22 ' A' ' 111' ' ' VAL . 2.8 tm? -50.92 -46.73 60.86 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.487 175.583 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -58.09 -45.33 87.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.864 178.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -64.73 -42.15 95.43 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 121.33 0.586 . . . . 0.0 110.19 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.409 ' CD2' HG13 ' A' ' 111' ' ' VAL . 49.5 tp -55.58 -37.58 68.27 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.909 178.075 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -59.54 -38.22 80.47 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.701 0.286 . . . . 0.0 111.451 177.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -81.15 -47.78 13.01 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -179.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -77.13 -34.3 56.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.759 0.314 . . . . 0.0 111.352 -175.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.44 ' O ' HG22 ' A' ' 116' ' ' THR . 0.0 OUTLIER 58.81 24.6 12.54 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.214 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.1 t -69.85 123.33 21.19 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.188 -177.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.545 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -60.18 -39.95 88.3 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 121.086 0.469 . . . . 0.0 110.399 176.421 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -63.98 -44.2 93.43 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.199 179.081 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.465 ' O ' HG13 ' A' ' 55' ' ' ILE . 54.8 tp -63.25 -42.3 99.17 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.181 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -56.87 -49.14 76.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.82 -42.38 99.7 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.72 -178.354 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.453 ' HA ' ' HE2' ' A' ' 54' ' ' LYS . 6.9 mmpt? -62.99 -44.02 97.19 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.964 0.411 . . . . 0.0 110.123 178.081 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 51' ' ' LEU . 83.8 mt -61.14 -48.94 86.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.595 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 75.1 mt -62.93 -40.65 89.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.454 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -68.32 -41.53 80.7 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -177.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.448 ' HA ' HG12 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -73.86 -34.55 64.54 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.189 -0.605 . . . . 0.0 110.87 178.107 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.44 HD22 ' HB3' ' A' ' 108' ' ' GLU . 5.6 tt -61.93 -44.88 95.86 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 178.328 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -62.18 -48.39 80.24 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.337 -0.847 . . . . 0.0 112.164 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.448 HG12 ' HA ' ' A' ' 58' ' ' GLU . 11.5 p -62.36 -36.06 72.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 CA-C-O 120.836 0.35 . . . . 0.0 111.372 -176.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.412 HG11 ' CD ' ' A' ' 32' ' ' GLN . 98.8 t -73.24 -38.51 54.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.14 178.304 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.44 ' SG ' HD23 ' A' ' 59' ' ' LEU . 90.1 m -62.78 -41.27 99.17 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-O 120.842 0.353 . . . . 0.0 110.359 179.069 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.96 -45.06 83.15 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.345 -178.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.436 ' HG3' HD12 ' A' ' 66' ' ' ILE . 21.8 ptp -68.52 -35.1 77.0 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.351 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.436 HD12 ' HG3' ' A' ' 65' ' ' MET . 1.4 mp -69.3 -45.34 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 178.339 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.487 ' HA ' ' HG2' ' A' ' 70' ' ' GLN . 47.0 mt-10 -66.17 -35.15 79.72 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 121.077 0.465 . . . . 0.0 110.618 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -69.04 -45.87 60.99 Favored Glycine 0 N--CA 1.446 -0.642 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.513 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.1 -42.03 73.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.993 -0.103 . . . . 0.0 110.985 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.487 ' HG2' ' HA ' ' A' ' 67' ' ' GLU . 13.5 pt20 -62.99 -38.91 93.07 Favored 'General case' 0 C--O 1.216 -0.679 0 C-N-CA 120.467 -0.493 . . . . 0.0 109.843 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -64.5 -40.75 97.92 Favored Glycine 0 C--N 1.336 0.531 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.65 -52.35 52.37 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 179.09 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.595 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 61.2 mt -54.81 -51.35 66.1 Favored 'General case' 0 CA--C 1.504 -0.807 0 CA-C-N 115.149 -0.932 . . . . 0.0 112.031 178.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 44.0 mt-10 -53.72 -52.36 60.36 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 123.426 0.454 . . . . 0.0 111.482 -176.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 60.7 mtt85 -59.18 -39.94 84.11 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.123 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -70.83 -55.42 8.56 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 3.8 pp -57.7 -21.13 38.77 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -179.179 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.428 ' HA ' ' HD3' ' A' ' 78' ' ' LYS . 51.9 mmtt -68.21 -15.37 63.55 Favored 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 179.082 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 21.8 mmt85 . . . . . 0 N--CA 1.463 0.186 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.542 -179.407 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.8 tt . . . . . 0 N--CA 1.451 -0.416 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -54.02 -55.88 23.12 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.211 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -58.74 -46.96 86.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.849 0.357 . . . . 0.0 111.412 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -61.73 -44.31 97.17 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.53 -178.358 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -68.7 -48.16 64.57 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.714 -178.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.572 ' CD1' HD11 ' A' ' 19' ' ' ILE . 4.2 m-30 -54.13 -53.82 47.98 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.739 178.51 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -57.58 -35.98 71.09 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.515 178.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -71.5 -46.45 59.69 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.476 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.24 -41.0 99.02 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.206 0.527 . . . . 0.0 109.664 -179.133 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -63.67 -38.53 91.46 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.933 178.39 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.584 ' O ' HD13 ' A' ' 99' ' ' ILE . 54.6 m -59.7 -47.49 85.42 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.342 176.13 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.472 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 84.9 mt -67.96 -40.67 83.15 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.568 -178.04 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 60.4 p -59.67 -48.7 80.62 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 120.75 0.309 . . . . 0.0 111.318 -178.28 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.437 ' O ' ' HG3' ' A' ' 102' ' ' LYS . 99.7 mttt -61.94 -38.16 87.42 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.062 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.584 HD13 ' O ' ' A' ' 95' ' ' THR . 1.6 mp -63.24 -41.59 93.35 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-O 120.828 0.346 . . . . 0.0 110.162 177.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 96' ' ' LEU . 96.6 mt -60.66 -49.52 77.2 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.554 178.169 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.446 ' O ' ' HD2' ' A' ' 105' ' ' LYS . 4.3 mm? -57.4 -43.11 83.45 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.128 179.145 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 98' ' ' LYS . 49.3 mtmt -59.67 -43.32 94.03 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 121.166 -0.213 . . . . 0.0 110.946 177.775 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -68.61 -35.74 77.73 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.379 -0.528 . . . . 0.0 110.913 -178.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.471 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 4.2 mm? -63.48 -46.31 86.73 Favored 'General case' 0 C--N 1.345 0.4 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.005 175.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.446 ' HD2' ' O ' ' A' ' 101' ' ' LEU . 0.3 OUTLIER -57.32 -35.48 69.92 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.774 177.038 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 110' ' ' LYS . 33.1 tt0 -70.62 -43.78 68.58 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.766 178.68 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.502 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.7 OUTLIER -63.7 -53.95 43.16 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 121.053 -0.259 . . . . 0.0 111.422 -178.703 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.634 ' O ' ' HG2' ' A' ' 112' ' ' LYS . 9.3 pt-20 -51.52 -48.64 62.89 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 123.096 0.248 . . . . 0.0 110.93 178.311 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.406 ' N ' ' HG3' ' A' ' 108' ' ' GLU . 34.1 tt0 -56.21 -44.63 79.69 Favored 'General case' 0 C--O 1.223 -0.331 0 C-N-CA 123.162 0.585 . . . . 0.0 111.336 178.176 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 106' ' ' GLU . 52.9 mtmt -66.42 -40.89 89.81 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-O 121.239 0.543 . . . . 0.0 111.086 178.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 107' ' ' THR . 78.5 t -58.49 -50.55 78.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.357 177.483 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.634 ' HG2' ' O ' ' A' ' 108' ' ' GLU . 14.3 ptmt -74.61 -13.91 60.71 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.274 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -73.59 -29.37 62.36 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.983 177.473 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.4 mp -71.06 121.0 20.04 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 176.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -75.76 125.15 28.52 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.003 0.43 . . . . 0.0 110.628 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.457 ' HB ' ' HB3' ' A' ' 49' ' ' LYS . 25.2 p -117.25 -173.73 2.47 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.871 178.633 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.447 ' OXT' ' HD2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.796 0 CA-C-O 118.612 -0.709 . . . . 0.0 110.338 -178.699 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.425 ' HB3' ' HB3' ' A' ' 77' ' ' LEU . 2.3 mm? . . . . . 0 CA--C 1.517 -0.305 0 CA-C-O 121.311 0.577 . . . . 0.0 109.632 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.589 HD11 ' HD1' ' A' ' 90' ' ' TYR . 20.3 mm -67.59 -34.97 71.48 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.563 179.284 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -57.34 -41.97 81.07 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.915 0.388 . . . . 0.0 110.447 177.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -67.2 -52.75 37.36 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.182 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.433 ' O ' HG12 ' A' ' 26' ' ' ILE . . . -56.62 -47.9 78.67 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.525 178.512 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -56.93 -42.29 79.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.563 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -71.21 -40.19 71.28 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.953 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.22 -45.51 80.44 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.433 HG12 ' O ' ' A' ' 22' ' ' ALA . 34.5 pt -66.93 -33.93 66.62 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.157 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.764 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -63.83 -45.67 88.52 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 176.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -66.36 -42.23 88.36 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.691 178.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.466 ' O ' ' HG3' ' A' ' 32' ' ' GLN . . . -60.62 -45.37 96.47 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 116.221 -0.445 . . . . 0.0 112.19 178.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.487 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 45.8 tt0 -57.11 -47.99 79.74 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.09 0.471 . . . . 0.0 110.674 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -66.47 -40.74 89.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.655 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -71.93 -28.14 63.27 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.941 -179.659 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -67.03 -42.91 84.08 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 175.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 30' ' ' GLU . 89.2 mt -65.06 -31.12 72.18 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.412 178.097 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -69.58 -55.24 10.68 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.786 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.457 HD13 ' OE1' ' A' ' 39' ' ' GLN . 3.8 mm? -59.94 -34.92 73.9 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.036 0.446 . . . . 0.0 110.803 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -59.78 -34.39 72.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.982 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -69.34 -43.3 73.93 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.107 177.125 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.457 ' OE1' HD13 ' A' ' 36' ' ' LEU . 90.9 mt-30 -58.01 -45.0 87.56 Favored 'General case' 0 CA--C 1.522 -0.102 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.854 177.146 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.7 tp -52.36 -49.02 65.19 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.072 176.207 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -58.14 -38.8 77.27 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 121.299 0.571 . . . . 0.0 110.476 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.43 ' HB3' ' O ' ' A' ' 39' ' ' GLN . 9.1 tp10 -64.15 -44.16 92.98 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.471 179.096 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.8 tp -63.83 -34.03 77.01 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.928 -177.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.448 ' O ' ' HE3' ' A' ' 47' ' ' LYS . 72.9 m-20 -58.89 -33.76 70.88 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.123 0.487 . . . . 0.0 110.89 -178.149 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -86.26 -44.03 12.47 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.772 -178.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.45 ' HB3' ' OG ' ' A' ' 48' ' ' SER . 78.9 m-20 -78.39 -35.89 46.6 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -175.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.448 ' HE3' ' O ' ' A' ' 44' ' ' ASN . 34.0 mmtp 58.79 19.05 6.56 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.162 -176.42 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.45 ' OG ' ' HB3' ' A' ' 46' ' ' ASN . 15.8 m -64.91 118.82 9.61 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.651 -177.51 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.7 pttt -58.17 -47.52 83.12 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.606 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -63.49 -37.1 86.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.959 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.493 ' O ' HG13 ' A' ' 55' ' ' ILE . 55.2 tp -66.08 -43.38 87.52 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 177.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -58.11 -47.25 83.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.914 178.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.457 ' O ' ' HD3' ' A' ' 57' ' ' ARG . 40.6 mt-10 -62.53 -43.8 97.93 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.491 -179.227 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -59.82 -46.47 89.15 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.837 0.351 . . . . 0.0 110.461 177.154 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' ' 51' ' ' LEU . 82.5 mt -59.31 -53.24 50.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.157 -179.048 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.4 tp -70.38 -34.07 56.6 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.857 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -177.051 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.457 ' HD3' ' O ' ' A' ' 53' ' ' GLU . 7.2 mpt_? -67.48 -52.58 37.58 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.621 0.248 . . . . 0.0 110.982 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.432 ' O ' HG23 ' A' ' 62' ' ' VAL . 42.3 mt-10 -70.32 -31.77 69.23 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.944 -0.303 . . . . 0.0 111.11 -178.593 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 65.6 tp -61.58 -44.52 96.86 Favored 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 176.391 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -60.45 -43.96 96.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.632 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 90.5 t -60.66 -44.37 96.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 CA-C-O 120.985 0.422 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 58' ' ' GLU . 60.4 t -67.19 -38.95 82.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.447 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.475 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 72.8 m -62.8 -41.56 99.34 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.994 0.426 . . . . 0.0 110.187 179.234 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.94 -49.62 69.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.878 -178.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.425 ' HG3' HD12 ' A' ' 66' ' ' ILE . 22.7 ptp -63.73 -34.68 78.42 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.497 -178.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.425 HD12 ' HG3' ' A' ' 65' ' ' MET . 1.4 mp -67.17 -43.72 88.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.038 178.649 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' ' 63' ' ' CYS . 48.4 mt-10 -65.36 -38.05 88.9 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 120.747 0.308 . . . . 0.0 111.381 -178.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.53 -47.87 60.07 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.705 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.37 -42.12 75.6 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 122.94 -0.153 . . . . 0.0 111.381 -178.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.621 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 13.1 pt20 -63.88 -37.53 87.75 Favored 'General case' 0 C--O 1.22 -0.483 0 C-N-CA 120.426 -0.509 . . . . 0.0 110.455 -179.06 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -70.16 -41.96 68.35 Favored Glycine 0 C--O 1.243 0.659 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.299 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.84 -54.5 25.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.134 -0.533 . . . . 0.0 110.256 -179.267 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.528 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 25.9 tp -57.34 -41.93 80.96 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.187 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.621 ' HB2' ' O ' ' A' ' 70' ' ' GLN . 0.7 OUTLIER -54.19 -50.51 66.88 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.243 0.544 . . . . 0.0 110.022 179.67 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 75' ' ' ARG . 9.1 tpt180 -56.87 -43.1 80.88 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.754 179.192 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -71.49 -55.7 7.35 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.945 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 3.5 pp -58.38 -19.8 38.83 Favored 'General case' 0 CA--C 1.512 -0.505 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -177.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.422 ' N ' HD12 ' A' ' 77' ' ' LEU . 14.9 mmtp -64.06 -10.45 22.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.788 0.328 . . . . 0.0 111.79 -179.308 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 79' ' ' ARG . 8.2 tpt180 . . . . . 0 CA--C 1.534 0.349 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.307 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.451 -0.392 0 CA-C-O 120.688 0.28 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -60.82 -41.1 95.07 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.53 -178.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 19.2 tpp85 -58.26 -49.15 78.14 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 120.907 0.384 . . . . 0.0 110.134 178.193 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -60.1 -40.87 91.14 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.654 179.296 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -65.02 -51.72 60.02 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.716 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.589 ' HD1' HD11 ' A' ' 19' ' ' ILE . 8.3 m-30 -55.15 -55.25 33.32 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.41 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -60.21 -39.09 85.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.143 -178.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -66.39 -47.3 73.75 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.824 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.74 -43.88 90.35 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.84 0.352 . . . . 0.0 110.793 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -67.27 -32.94 74.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.008 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.469 ' O ' HG13 ' A' ' 99' ' ' ILE . 91.4 m -60.1 -49.98 75.5 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 174.762 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.455 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 79.4 mt -70.38 -35.13 73.33 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.262 -178.207 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.491 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 41.5 t -56.28 -52.14 65.6 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.511 178.464 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -63.52 -34.48 77.88 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.175 -179.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 95' ' ' THR . 88.2 mt -65.26 -44.9 94.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 CA-C-O 121.218 0.533 . . . . 0.0 109.88 178.48 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.477 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 98.8 mt -63.44 -42.19 98.68 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.78 179.342 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 97' ' ' SER . 96.3 mt -62.95 -41.71 99.59 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.122 178.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.4 ' HE2' ' HB3' ' A' ' 102' ' ' LYS . 5.6 tmmm? -62.26 -39.75 93.91 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.487 177.317 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -71.31 -34.94 71.06 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.412 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 100' ' ' LEU . 96.3 mt -62.83 -45.89 90.47 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 175.642 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.507 ' HA ' ' HG2' ' A' ' 108' ' ' GLU . 41.8 mttp -57.5 -31.74 66.32 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.402 177.17 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.536 ' O ' ' HE3' ' A' ' 110' ' ' LYS . 41.8 mm-40 -67.93 -41.57 82.37 Favored 'General case' 0 CA--C 1.511 -0.542 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.3 175.621 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.493 ' O ' HG23 ' A' ' 111' ' ' VAL . 25.2 m -66.59 -54.57 22.07 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -177.658 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.507 ' HG2' ' HA ' ' A' ' 105' ' ' LYS . 9.0 pt-20 -54.06 -51.39 64.24 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 111.728 0.269 . . . . 0.0 111.728 179.577 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.457 ' N ' ' HG3' ' A' ' 108' ' ' GLU . 16.1 mm-40 -61.83 -37.71 85.48 Favored 'General case' 0 C--O 1.226 -0.145 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -179.353 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.536 ' HE3' ' O ' ' A' ' 106' ' ' GLU . 0.0 OUTLIER -67.74 -42.82 81.23 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.329 0.585 . . . . 0.0 110.511 179.227 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 107' ' ' THR . 69.8 t -61.15 -43.1 95.66 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.171 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.85 178.138 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' A' ' 108' ' ' GLU . 64.8 mttm -66.37 -25.19 66.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.278 177.742 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -74.81 -25.78 59.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.753 -178.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.5 mp -74.15 121.19 24.78 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 CA-C-O 121.244 0.545 . . . . 0.0 109.779 177.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -76.62 121.09 22.72 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.758 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 30.7 p -116.56 -174.95 2.66 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.605 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 . . . . . 0 C--O 1.246 0.876 0 O-C-N 123.96 0.788 . . . . 0.0 112.155 179.821 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 N--CA 1.473 0.701 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.553 HD11 ' CD1' ' A' ' 90' ' ' TYR . 23.6 mm -59.24 -37.23 67.68 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.151 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.12 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -57.51 -43.43 84.25 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.005 0.431 . . . . 0.0 110.507 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -50.01 74.58 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.901 179.357 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.66 -37.1 79.38 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.54 0.686 . . . . 0.0 110.739 -178.048 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -59.84 -42.31 93.3 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.417 -1.265 . . . . 0.0 111.106 -178.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 -77.11 -32.21 56.39 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 119.87 -0.732 . . . . 0.0 112.577 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.35 -44.88 93.55 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 118.541 0.61 . . . . 0.0 111.289 176.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 36.8 pt -67.15 -31.88 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.099 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.241 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -59.25 -44.02 92.4 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 121.473 0.654 . . . . 0.0 109.452 175.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -65.18 -44.0 89.88 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.969 177.076 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.57 ' O ' ' HG3' ' A' ' 32' ' ' GLN . . . -60.29 -45.89 95.29 Favored Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 116.039 -0.528 . . . . 0.0 113.618 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -64.38 -37.24 86.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.139 0.495 . . . . 0.0 110.883 -178.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -66.23 -48.71 69.66 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.668 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.57 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 1.0 OUTLIER -67.13 -33.85 76.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.134 179.475 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.451 HD11 ' OD1' ' A' ' 103' ' ' ASP . 2.2 tm? -62.47 -52.04 65.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.752 -0.204 . . . . 0.0 110.502 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 pp -65.81 -27.62 68.39 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 120.371 -0.532 . . . . 0.0 110.336 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -65.95 -54.4 26.78 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.813 178.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.37 -31.31 72.36 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.557 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 16.2 mm-40 -59.84 -39.2 84.32 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 121.157 0.503 . . . . 0.0 110.541 177.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -66.02 -34.61 78.48 Favored 'General case' 0 C--O 1.25 1.103 0 CA-C-O 121.518 0.675 . . . . 0.0 110.064 176.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -68.56 -41.95 79.03 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.607 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.3 tp -51.67 -46.31 63.73 Favored 'General case' 0 C--N 1.34 0.183 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.268 175.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -57.51 -42.76 83.42 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.016 0.436 . . . . 0.0 110.4 177.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -65.42 -45.42 83.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.051 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.1 tp -56.26 -40.68 74.6 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.997 178.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -58.92 -40.58 84.99 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.995 0.426 . . . . 0.0 111.302 178.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -81.12 -46.08 15.48 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.794 -176.065 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.406 ' ND2' ' HB2' ' A' ' 48' ' ' SER . 66.4 t30 -77.26 -30.62 54.46 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.032 0.444 . . . . 0.0 110.604 -177.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.524 ' O ' HG22 ' A' ' 116' ' ' THR . 0.1 OUTLIER 57.27 27.06 13.09 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.271 179.75 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.406 ' HB2' ' ND2' ' A' ' 46' ' ' ASN . 44.3 t -67.65 121.5 16.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.155 -178.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.688 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -62.52 -47.88 82.0 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.874 178.704 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 15.8 pt-20 -63.97 -40.03 95.48 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.879 -179.461 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.411 ' O ' HG13 ' A' ' 55' ' ' ILE . 42.2 tp -60.53 -43.66 96.9 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 176.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -57.86 -45.54 86.15 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.757 178.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.494 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 42.4 tt0 -62.07 -46.08 90.69 Favored 'General case' 0 N--CA 1.438 -1.059 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.353 -178.217 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 7.3 mtpm? -65.35 -42.9 92.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.677 0.275 . . . . 0.0 110.359 178.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 51' ' ' LEU . 66.3 mt -60.3 -51.1 76.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.193 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 15.4 tt -66.88 -31.94 55.75 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-O 120.727 0.298 . . . . 0.0 111.354 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' A' ' 53' ' ' GLU . 4.9 tpt85 -68.87 -52.62 27.76 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.093 -178.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -64.94 -33.74 76.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.942 0.401 . . . . 0.0 109.92 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 52.8 tp -60.84 -46.78 89.2 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.927 179.108 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -64.97 -42.87 94.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.954 -178.424 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.8 t -62.9 -48.63 87.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 CA-C-O 120.964 0.411 . . . . 0.0 111.357 -178.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 47.3 t -66.35 -33.55 64.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.327 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.769 ' SG ' ' HE2' ' A' ' 105' ' ' LYS . 51.7 t -66.32 -41.32 89.81 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.263 0.554 . . . . 0.0 109.964 177.71 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.52 -45.05 84.99 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.336 -177.066 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.408 ' HG3' HD12 ' A' ' 66' ' ' ILE . 21.9 ptp -65.87 -36.43 83.4 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.884 0.373 . . . . 0.0 110.347 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.408 HD12 ' HG3' ' A' ' 65' ' ' MET . 1.3 mp -68.02 -41.72 84.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.877 178.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 63' ' ' CYS . 46.3 mt-10 -66.28 -35.54 80.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.132 0.491 . . . . 0.0 110.441 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -68.0 -47.44 59.89 Favored Glycine 0 N--CA 1.443 -0.888 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.189 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.463 ' O ' ' HG ' ' A' ' 73' ' ' LEU . . . -69.83 -39.31 76.52 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -58.63 -44.71 90.08 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-O 121.219 0.533 . . . . 0.0 109.642 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.19 -41.39 99.66 Favored Glycine 0 C--O 1.25 1.113 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.69 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.77 -57.36 7.22 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-N 114.89 -0.655 . . . . 0.0 111.12 -177.36 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.666 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 4.4 pp -62.95 -38.81 92.54 Favored 'General case' 0 C--O 1.215 -0.727 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.144 -178.195 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.543 ' N ' HD12 ' A' ' 73' ' ' LEU . 11.7 tp10 -55.44 -54.3 45.49 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.093 0.473 . . . . 0.0 110.722 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -62.49 -34.12 76.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.653 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -75.97 -55.21 5.83 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.783 -179.225 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.666 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 3.7 pp -57.39 -24.94 58.45 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -178.402 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.495 ' N ' HD12 ' A' ' 77' ' ' LEU . 14.0 mmtp -69.09 -31.87 70.89 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-O 121.075 0.465 . . . . 0.0 111.63 -178.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.469 ' O ' ' HD3' ' A' ' 79' ' ' ARG . 1.1 tmt_? . . . . . 0 C--N 1.325 -0.462 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.899 -176.176 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 50.8 tp . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 121.178 0.513 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 29.7 mp0 -58.76 -43.48 90.34 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.897 178.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 45.8 mtm180 -58.85 -45.24 90.55 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 121.178 0.513 . . . . 0.0 110.76 178.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -64.8 -38.6 91.54 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.185 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -66.12 -50.19 64.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.875 0.369 . . . . 0.0 110.533 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.553 ' CD1' HD11 ' A' ' 19' ' ' ILE . 4.0 m-30 -55.15 -48.87 73.1 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.629 177.394 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -57.33 -42.05 81.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.297 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -66.98 -37.01 83.46 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 120.919 0.39 . . . . 0.0 110.632 -179.201 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.38 -40.86 96.64 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.418 0.627 . . . . 0.0 109.42 177.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -62.0 -39.12 91.14 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.541 176.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.459 ' O ' HG13 ' A' ' 99' ' ' ILE . 89.9 m -57.03 -50.21 73.43 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.604 178.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 87.7 mt -68.05 -39.23 83.07 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.724 -177.038 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.0 p -63.02 -41.52 99.56 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.027 0.442 . . . . 0.0 111.128 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.58 ' HE2' ' HA ' ' A' ' 98' ' ' LYS . 6.9 mmpt? -59.89 -44.68 94.09 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.995 178.227 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 95' ' ' THR . 84.1 mt -59.73 -44.37 93.59 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.91 178.131 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.431 HD21 ' HA3' ' A' ' 29' ' ' GLY . 66.6 tp -60.04 -51.98 67.34 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.209 -0.905 . . . . 0.0 112.138 -179.537 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.95 -38.05 89.64 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.976 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -62.95 -50.46 70.71 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 110.509 -0.182 . . . . 0.0 110.509 177.478 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.451 ' OD1' HD11 ' A' ' 33' ' ' LEU . 5.3 t70 -62.81 -34.69 77.82 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -63.07 -53.67 50.12 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.766 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.769 ' HE2' ' SG ' ' A' ' 63' ' ' CYS . 5.4 mptp? -60.93 -31.85 71.37 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.948 178.524 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -64.95 -36.47 84.48 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 177.079 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 26.8 m -64.69 -47.5 78.14 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.228 177.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -51.11 -49.47 60.69 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 123.779 0.831 . . . . 0.0 110.998 176.366 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.555 ' O ' ' HG2' ' A' ' 112' ' ' LYS . 30.8 tt0 -59.94 -39.41 85.45 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.168 178.555 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.41 ' O ' ' HB3' ' A' ' 113' ' ' ASP . 96.0 mttt -71.12 -43.54 67.42 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -177.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 34.6 m -62.41 -40.36 87.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 CA-C-O 120.757 0.313 . . . . 0.0 110.733 178.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.555 ' HG2' ' O ' ' A' ' 109' ' ' GLN . 11.5 ptmm? -76.94 -15.07 59.77 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 120.991 0.424 . . . . 0.0 110.687 177.256 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.41 ' HB3' ' O ' ' A' ' 110' ' ' LYS . 31.8 t70 -74.32 -30.12 61.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.02 178.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.433 HG22 HG23 ' A' ' 116' ' ' THR . 1.5 mp -66.79 124.19 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-O 120.924 0.393 . . . . 0.0 109.995 177.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -79.51 122.25 26.22 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.306 -0.406 . . . . 0.0 109.911 178.253 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.532 ' HB ' ' HB3' ' A' ' 49' ' ' LYS . 3.3 p -127.9 -164.35 1.36 Allowed 'General case' 0 C--N 1.309 -1.188 0 O-C-N 122.337 -0.227 . . . . 0.0 110.87 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.449 ' HB2' ' HD2' ' A' ' 49' ' ' LYS . 53.5 mt-30 . . . . . 0 C--O 1.246 0.91 0 CA-C-O 118.435 -0.793 . . . . 0.0 110.399 178.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.1 mt . . . . . 0 CA--C 1.528 0.121 0 CA-C-O 120.714 0.292 . . . . 0.0 111.258 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.558 HD11 ' CD1' ' A' ' 90' ' ' TYR . 19.9 mm -62.69 -45.3 99.17 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.346 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.68 178.129 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -58.79 -35.88 73.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.132 0.492 . . . . 0.0 110.81 179.112 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -68.65 -49.84 55.9 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.749 178.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.93 -40.74 89.95 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.572 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -65.45 -35.54 81.22 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.005 -179.064 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -70.78 -37.92 73.38 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.155 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.78 -47.83 84.11 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.765 177.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 31.5 pt -64.74 -34.68 71.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 C-N-CA 120.749 -0.381 . . . . 0.0 111.109 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -54.64 -52.53 62.0 Favored 'General case' 0 C--O 1.245 0.855 0 CA-C-O 121.253 0.549 . . . . 0.0 109.874 175.316 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -62.3 -43.24 99.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.489 179.025 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.48 -44.84 90.28 Favored Glycine 0 C--N 1.337 0.638 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.541 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.426 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 44.3 mt-10 -61.34 -42.76 99.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.026 0.441 . . . . 0.0 110.985 -179.596 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 39.0 t-80 -66.54 -47.65 72.2 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.339 -178.219 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.18 -31.83 68.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.384 -178.721 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.431 ' O ' HD22 ' A' ' 33' ' ' LEU . 1.4 tm? -67.21 -48.84 66.67 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.616 0.246 . . . . 0.0 110.567 178.355 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 30' ' ' GLU . 78.4 mt -65.19 -31.21 72.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.162 0.506 . . . . 0.0 109.861 -179.527 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -67.65 -54.62 18.08 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.81 179.113 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.2 mt -60.52 -30.13 69.55 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.291 -0.413 . . . . 0.0 112.028 -178.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -57.45 -31.77 66.27 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 120.834 0.349 . . . . 0.0 110.842 177.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 36.7 t60 -66.92 -43.72 82.58 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 177.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -57.81 -44.46 86.38 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.946 176.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.463 HD11 ' HB2' ' A' ' 110' ' ' LYS . 8.2 tt -50.23 -49.2 53.65 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 123.181 0.592 . . . . 0.0 110.925 175.155 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -56.51 -40.9 75.8 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.113 0.482 . . . . 0.0 110.512 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -68.41 -41.74 80.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.361 178.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.0 tp -56.64 -39.4 73.6 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.765 177.3 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.451 ' OD1' HD11 ' A' ' 114' ' ' ILE . 92.2 m-20 -58.23 -33.92 69.86 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.13 0.49 . . . . 0.0 110.476 177.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -80.05 -45.34 18.5 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.264 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -79.08 -37.05 39.78 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -176.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.418 ' HE2' ' O ' ' A' ' 44' ' ' ASN . 75.7 mmtt 58.55 22.39 9.67 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 -174.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.9 t -67.86 125.42 26.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.333 -0.849 . . . . 0.0 112.3 -176.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.688 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -63.51 -40.74 97.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.424 176.523 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.599 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 61.9 mm-40 -66.24 -45.32 81.04 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.531 179.588 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 51.4 tp -62.95 -41.76 99.61 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -58.02 -43.5 86.75 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.154 177.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.441 ' O ' ' HD3' ' A' ' 57' ' ' ARG . 36.0 tt0 -61.93 -48.21 81.46 Favored 'General case' 0 N--CA 1.434 -1.259 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.332 -179.547 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.599 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 42.7 mmtm -64.96 -42.54 94.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.84 0.352 . . . . 0.0 110.309 -178.585 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 71.8 mt -60.11 -51.32 74.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.049 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 15.4 tt -68.45 -32.12 54.12 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 121.002 -0.279 . . . . 0.0 111.427 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.441 ' HD3' ' O ' ' A' ' 53' ' ' GLU . 1.5 mpt_? -66.55 -52.1 49.32 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.828 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -66.38 -35.19 79.7 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 120.839 -0.345 . . . . 0.0 110.483 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 23.9 tp -62.7 -44.42 96.29 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -59.52 -46.28 89.32 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.471 178.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 57' ' ' ARG . 64.4 t -62.11 -48.12 89.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.981 -179.689 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 87.3 t -64.65 -41.31 91.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.572 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 50.9 t -63.24 -41.59 99.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.917 0.389 . . . . 0.0 110.193 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.74 -50.67 68.19 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.845 -179.066 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.461 ' HG3' HD12 ' A' ' 66' ' ' ILE . 22.6 ptp -63.46 -37.06 85.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.946 0.403 . . . . 0.0 110.637 -178.688 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.461 HD12 ' HG3' ' A' ' 65' ' ' MET . 1.4 mp -66.78 -45.13 88.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.33 179.174 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -67.27 -39.24 86.04 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.89 0.376 . . . . 0.0 111.062 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.54 -42.78 97.29 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.921 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.65 -39.0 70.65 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 179.033 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.14 -47.78 83.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.09 0.471 . . . . 0.0 110.256 -179.38 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.2 -42.17 91.35 Favored Glycine 0 C--O 1.244 0.72 0 CA-C-N 115.606 -0.725 . . . . 0.0 112.594 -178.159 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.36 -53.01 49.67 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-O 121.195 0.521 . . . . 0.0 110.192 -178.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.674 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 27.2 tp -56.69 -42.03 78.38 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.488 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.511 ' OE1' HD11 ' A' ' 77' ' ' LEU . 2.2 mm-40 -53.59 -53.07 57.04 Favored 'General case' 0 C--O 1.22 -0.451 0 O-C-N 123.414 0.446 . . . . 0.0 111.454 179.07 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.417 ' C ' ' HD3' ' A' ' 75' ' ' ARG . 4.4 tmt_? -57.83 -41.53 82.45 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 120.58 0.229 . . . . 0.0 110.742 -178.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -72.56 -54.8 8.15 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.633 -178.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.674 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 2.5 pp -59.04 -25.04 63.37 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -177.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.554 ' N ' HD12 ' A' ' 77' ' ' LEU . 59.9 mmtt -64.78 -24.88 67.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.489 0.661 . . . . 0.0 110.537 -178.548 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 26.8 ttp180 . . . . . 0 C--N 1.321 -0.664 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.271 -178.204 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 59.0 tp . . . . . 0 CA--C 1.513 -0.472 0 CA-C-O 120.502 0.191 . . . . 0.0 110.668 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -58.45 -46.23 86.96 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.563 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -57.96 -42.88 85.93 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 121.263 0.554 . . . . 0.0 110.617 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -67.67 -44.49 77.7 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.91 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -57.12 -52.9 63.43 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-O 121.187 0.517 . . . . 0.0 109.89 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.58 ' CE2' ' HB2' ' A' ' 77' ' ' LEU . 5.8 m-85 -55.25 -53.94 49.7 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.565 178.787 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -53.52 -50.96 64.35 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.67 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -65.79 -48.37 71.99 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -177.163 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.98 -43.29 86.43 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.87 0.367 . . . . 0.0 111.446 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -63.52 -36.63 84.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.175 178.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 59.5 m -60.61 -50.87 71.79 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.991 176.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 87.9 mt -67.43 -40.58 85.51 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.534 -176.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 6.0 p -60.33 -46.36 90.18 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.676 -178.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -60.37 -42.78 96.53 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.755 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 79.5 mt -61.83 -44.38 98.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-O 121.268 0.556 . . . . 0.0 110.298 178.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.503 ' O ' HD23 ' A' ' 104' ' ' LEU . 3.2 tm? -56.61 -51.22 69.52 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.985 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 101' ' ' LEU . 4.1 mm? -60.63 -38.62 85.39 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 111.976 0.362 . . . . 0.0 111.976 -179.161 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -65.35 -33.73 76.66 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 121.084 -0.246 . . . . 0.0 111.035 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -71.48 -38.28 71.22 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.503 HD23 ' O ' ' A' ' 100' ' ' LEU . 4.4 mm? -63.31 -48.74 76.8 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.824 0.345 . . . . 0.0 110.337 178.718 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.402 ' HA ' ' HD3' ' A' ' 105' ' ' LYS . 57.0 mmtt -61.81 -35.33 77.88 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.686 ' O ' ' HG2' ' A' ' 110' ' ' LYS . 34.7 tt0 -66.02 -38.13 87.64 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 177.407 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 37.6 m -61.23 -48.85 79.59 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.27 178.573 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -51.38 -47.49 62.85 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.531 175.213 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.578 ' HA ' ' HE2' ' A' ' 112' ' ' LYS . 63.4 tt0 -59.39 -42.15 91.06 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.341 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.686 ' HG2' ' O ' ' A' ' 106' ' ' GLU . 13.8 mmmm -64.63 -49.17 72.11 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.212 0.529 . . . . 0.0 110.9 -178.596 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 35.1 m -65.23 -40.81 89.88 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.658 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.576 -176.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.578 ' HE2' ' HA ' ' A' ' 109' ' ' GLN . 50.4 pttt -75.35 -14.95 60.51 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.975 0.417 . . . . 0.0 111.11 178.256 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -78.65 -24.73 45.06 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.552 177.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.451 HD11 ' OD1' ' A' ' 44' ' ' ASN . 1.5 mp -68.29 120.38 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 176.288 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -72.03 124.8 25.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.162 0.506 . . . . 0.0 111.074 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 55.5 p -122.19 -163.74 1.1 Allowed 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.098 179.054 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.51 ' HB2' ' HD2' ' A' ' 49' ' ' LYS . 49.4 mt-30 . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.451 -0.785 . . . . 0.0 109.606 175.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.434 HD13 ' HA ' ' A' ' 77' ' ' LEU . 49.0 mt . . . . . 0 CA--C 1.537 0.458 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.461 HD11 ' CD1' ' A' ' 90' ' ' TYR . 33.0 mm -67.09 -35.93 75.7 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.633 0 C-N-CA 121.148 -0.221 . . . . 0.0 111.506 -177.716 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.2 mp0 -57.24 -44.32 83.74 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 120.836 0.35 . . . . 0.0 110.445 178.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -68.31 -40.1 81.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.037 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.435 ' HB2' ' CD2' ' A' ' 73' ' ' LEU . . . -67.95 -38.22 82.55 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 121.509 0.671 . . . . 0.0 110.435 178.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.473 ' HA ' HG12 ' A' ' 26' ' ' ILE . 16.5 t-20 -66.87 -38.61 86.65 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.444 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -62.72 -43.38 98.95 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.384 177.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.52 -50.2 73.68 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 115.925 -0.58 . . . . 0.0 112.02 178.208 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.473 HG12 ' HA ' ' A' ' 23' ' ' ASN . 39.1 pt -67.14 -31.37 52.91 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.393 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.213 -179.48 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -59.1 -55.19 38.22 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-O 121.392 0.615 . . . . 0.0 109.425 175.325 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -62.94 -39.8 95.7 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.704 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.5 -43.09 99.77 Favored Glycine 0 C--N 1.334 0.463 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.517 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -60.05 -47.76 84.54 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.303 0.573 . . . . 0.0 110.748 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -63.65 -48.19 78.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.172 -177.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -68.37 -33.04 73.56 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.407 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.554 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 1.4 tm? -64.19 -46.92 81.83 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 178.247 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.0 mt -63.52 -31.5 72.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.156 0.503 . . . . 0.0 109.681 179.076 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -68.79 -53.18 23.18 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.87 178.442 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.97 -32.36 72.8 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 116.354 -0.384 . . . . 0.0 112.032 -177.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.554 ' HG3' ' O ' ' A' ' 33' ' ' LEU . 84.3 mt-30 -63.18 -30.09 71.31 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.19 177.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -72.29 -32.82 66.94 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.345 176.114 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -67.2 -44.96 78.29 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 177.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.493 HD22 HG23 ' A' ' 107' ' ' THR . 54.1 tp -52.91 -47.26 68.1 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.728 175.575 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -59.14 -41.38 88.12 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.518 0.675 . . . . 0.0 110.216 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -62.74 -44.75 95.41 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.141 178.08 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -63.54 -35.96 82.21 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 123.145 0.578 . . . . 0.0 111.455 -177.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -60.52 -38.31 83.97 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.127 0.489 . . . . 0.0 110.589 -177.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -89.86 -39.4 13.09 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.653 -179.006 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -71.64 -37.22 70.87 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -176.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? 53.35 101.64 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.937 0 CA-C-O 122.005 0.907 . . . . 0.0 111.944 -176.184 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.427 ' HB2' ' HB3' ' A' ' 51' ' ' LEU . 12.6 m -156.11 117.66 3.92 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 114.621 -1.172 . . . . 0.0 111.978 -177.369 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.675 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -60.61 -42.23 96.38 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 121.006 0.432 . . . . 0.0 110.085 177.895 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.493 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 9.1 pt-20 -64.51 -38.98 92.89 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.132 178.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.427 ' HB3' ' HB2' ' A' ' 48' ' ' SER . 47.2 tp -68.65 -39.52 80.64 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.352 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.584 ' HG3' HG22 ' A' ' 111' ' ' VAL . 50.4 tt0 -59.92 -44.54 94.25 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.378 177.383 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' A' ' 49' ' ' LYS . 46.2 mt-10 -59.9 -45.11 93.59 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.435 178.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.493 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 45.2 mmtm -60.4 -45.68 92.69 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.003 0.43 . . . . 0.0 110.712 179.317 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 69.6 mt -61.25 -53.52 47.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.453 -178.184 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.411 HG22 ' O ' ' A' ' 52' ' ' GLN . 12.5 tt -66.05 -35.2 74.47 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 120.981 -0.288 . . . . 0.0 111.471 -178.714 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -67.46 -47.53 69.84 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 111.558 0.207 . . . . 0.0 111.558 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.441 ' HA ' HG12 ' A' ' 61' ' ' VAL . 28.5 tt0 -71.55 -34.35 69.92 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 120.125 -0.63 . . . . 0.0 111.071 179.006 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 23.5 tp -62.88 -46.43 87.9 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.314 0.578 . . . . 0.0 109.651 179.033 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -61.06 -48.21 82.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.806 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.441 HG12 ' HA ' ' A' ' 58' ' ' GLU . 10.0 p -63.42 -35.89 74.11 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.662 0 CA-C-O 120.81 0.338 . . . . 0.0 110.908 -178.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 53.8 t -69.17 -40.64 80.75 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.172 0 CA-C-N 116.353 -0.385 . . . . 0.0 109.969 176.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 45.3 t -62.84 -39.42 94.29 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.851 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.48 -46.69 72.22 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.762 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.451 ' HG3' HD12 ' A' ' 66' ' ' ILE . 23.5 ptp -67.32 -35.13 78.8 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.587 -178.508 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.451 HD12 ' HG3' ' A' ' 65' ' ' MET . 1.5 mp -67.75 -43.35 86.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.546 177.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -69.51 -38.02 77.41 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -179.222 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.51 -46.9 88.96 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.78 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.62 -38.41 86.88 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.676 0.274 . . . . 0.0 110.441 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.647 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 15.8 mt-30 -62.48 -44.86 95.37 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.755 179.043 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.04 -43.56 95.6 Favored Glycine 0 C--O 1.238 0.347 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.334 -178.384 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.25 -56.23 16.05 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 121.199 0.523 . . . . 0.0 110.64 -178.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.518 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 47.3 tp -61.39 -38.76 88.23 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.603 -178.536 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.647 ' HB2' ' O ' ' A' ' 70' ' ' GLN . 1.5 tm-20 -55.42 -52.3 64.04 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.849 0.357 . . . . 0.0 110.2 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -58.99 -38.7 79.76 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.994 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -69.96 -54.71 12.08 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.332 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 3.7 pp -60.85 -23.65 65.29 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -179.581 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.423 ' HD3' ' HA ' ' A' ' 78' ' ' LYS . 23.9 mmtp -69.74 -19.58 63.54 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.198 0.523 . . . . 0.0 111.188 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 . . . . . 0 C--N 1.318 -0.783 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.116 -177.273 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 63.9 tp . . . . . 0 N--CA 1.45 -0.435 0 CA-C-O 120.723 0.296 . . . . 0.0 110.593 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -55.71 -47.41 76.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.138 -0.483 . . . . 0.0 112.134 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -61.83 -42.6 99.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.016 0.436 . . . . 0.0 110.75 -178.053 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -63.48 -45.62 89.9 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.704 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -59.97 -47.46 85.73 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.208 179.123 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.461 ' CD1' HD11 ' A' ' 19' ' ' ILE . 5.3 m-30 -55.7 -50.08 71.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.473 177.284 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -57.51 -49.66 75.59 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.711 -179.243 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -67.03 -40.02 87.13 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.355 -177.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.49 -43.82 96.18 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 121.125 0.488 . . . . 0.0 109.795 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.435 ' O ' ' HG3' ' A' ' 98' ' ' LYS . 9.2 mm-40 -64.56 -34.52 78.44 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.969 177.79 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.517 ' O ' HG13 ' A' ' 99' ' ' ILE . 88.5 m -63.2 -49.14 75.39 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.48 176.714 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 89.2 mt -69.43 -38.63 77.93 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.35 -176.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.437 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 7.9 p -61.61 -43.88 98.04 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 120.681 0.277 . . . . 0.0 111.125 -179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 94' ' ' GLN . 61.2 mttp -61.29 -34.52 75.33 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.412 177.638 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.517 HG13 ' O ' ' A' ' 95' ' ' THR . 84.9 mt -66.81 -48.36 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-O 121.164 0.507 . . . . 0.0 110.048 178.46 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.484 ' O ' HD23 ' A' ' 104' ' ' LEU . 90.5 mt -58.79 -49.24 78.41 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.951 -179.62 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 97' ' ' SER . 94.5 mt -56.0 -41.08 74.31 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.871 179.628 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -68.15 -33.48 74.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.356 178.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -75.59 -37.73 59.63 Favored 'General case' 0 C--O 1.24 0.605 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.22 -179.179 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.504 HD13 HD23 ' A' ' 33' ' ' LEU . 4.6 mm? -62.03 -50.44 72.01 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.128 0.49 . . . . 0.0 109.686 175.34 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -58.23 -33.22 69.1 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.479 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.659 ' O ' ' HG2' ' A' ' 110' ' ' LYS . 9.1 mm-40 -67.16 -39.46 86.5 Favored 'General case' 0 CA--C 1.51 -0.586 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 176.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.493 HG23 HD22 ' A' ' 40' ' ' LEU . 38.2 m -63.4 -45.82 89.26 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.62 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.582 ' HG2' ' HD3' ' A' ' 112' ' ' LYS . 19.8 tt0 -51.11 -49.23 61.15 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.023 176.489 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -60.28 -38.53 83.86 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.16 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.659 ' HG2' ' O ' ' A' ' 106' ' ' GLU . 70.7 mmtt -65.32 -49.06 70.88 Favored 'General case' 0 C--O 1.242 0.703 0 CA-C-O 121.361 0.601 . . . . 0.0 111.607 -177.392 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.584 HG22 ' HG3' ' A' ' 52' ' ' GLN . 12.1 p -65.55 -38.94 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.483 -178.221 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.582 ' HD3' ' HG2' ' A' ' 108' ' ' GLU . 47.7 mtpt -71.02 -15.63 62.57 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 175.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -83.82 -22.08 31.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.147 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.3 mp -74.83 122.96 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-O 121.419 0.628 . . . . 0.0 110.168 176.218 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -81.76 124.22 29.44 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.763 176.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.4 p -126.19 175.55 7.7 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.608 -178.346 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 . . . . . 0 C--O 1.253 1.24 0 O-C-N 123.921 0.763 . . . . 0.0 110.833 -179.614 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.2 mp . . . . . 0 N--CA 1.476 0.871 0 CA-C-O 120.703 0.287 . . . . 0.0 111.717 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.466 HD11 ' CD1' ' A' ' 90' ' ' TYR . 21.8 mm -60.77 -34.01 57.41 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.25 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.13 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -62.27 -49.13 76.92 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.766 -179.2 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -62.3 -46.08 90.35 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.443 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.45 -41.82 85.99 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 121.021 0.439 . . . . 0.0 110.982 176.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.441 ' HA ' HG12 ' A' ' 26' ' ' ILE . 28.0 t-20 -63.51 -41.59 98.52 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 179.167 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -61.38 -42.67 99.09 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.566 177.133 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.14 -45.92 86.4 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.752 -0.204 . . . . 0.0 111.533 178.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.441 HG12 ' HA ' ' A' ' 23' ' ' ASN . 33.3 pt -67.62 -33.8 64.19 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.16 0 C-N-CA 120.543 -0.463 . . . . 0.0 111.316 -179.309 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -60.52 -42.41 96.39 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 174.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -67.11 -46.25 74.75 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.143 177.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.427 ' O ' ' HG3' ' A' ' 32' ' ' GLN . . . -60.11 -43.65 98.1 Favored Glycine 0 C--O 1.221 -0.668 0 N-CA-C 111.885 -0.486 . . . . 0.0 111.885 -178.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.503 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 41.8 tt0 -59.06 -45.01 91.88 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.227 0.537 . . . . 0.0 110.387 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -67.05 -43.76 81.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.355 -178.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -69.94 -31.57 69.4 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.894 -0.323 . . . . 0.0 110.32 -179.886 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.476 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 1.8 tm? -65.85 -47.25 75.56 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 177.056 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 30' ' ' GLU . 96.3 mt -63.64 -33.85 76.53 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -68.34 -51.2 47.1 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.662 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.85 -34.33 75.78 Favored 'General case' 0 C--N 1.338 0.084 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.833 -178.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.476 ' HG3' ' O ' ' A' ' 33' ' ' LEU . 89.3 mt-30 -65.58 -26.98 68.1 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.265 0.555 . . . . 0.0 110.534 178.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -72.2 -32.93 67.23 Favored 'General case' 0 C--O 1.245 0.826 0 CA-C-O 121.376 0.608 . . . . 0.0 109.598 175.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -68.6 -40.95 80.23 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 177.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.0 tp -52.15 -45.09 64.9 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.243 173.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -56.84 -42.56 79.89 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.983 0.42 . . . . 0.0 110.455 178.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -66.14 -46.64 76.8 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.333 177.325 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.5 tp -56.07 -41.22 74.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.369 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -60.45 -32.63 71.56 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.106 0.479 . . . . 0.0 111.097 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -84.45 -45.11 13.01 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.691 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.503 ' HB3' ' OG ' ' A' ' 48' ' ' SER . 94.7 m-20 -77.99 -33.18 51.43 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.298 -0.41 . . . . 0.0 112.091 -177.111 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt 57.04 20.41 5.43 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.29 -175.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.503 ' OG ' ' HB3' ' A' ' 46' ' ' ASN . 13.6 m -65.68 118.79 10.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.391 -177.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.559 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -62.21 -43.46 98.79 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.838 -179.246 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.491 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 10.5 pt-20 -61.84 -43.67 98.38 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 121.202 -0.199 . . . . 0.0 110.772 179.089 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.6 tp -59.51 -41.9 90.97 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 176.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -58.22 -44.58 88.26 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.262 177.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 7.4 mm-40 -59.05 -50.35 74.4 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.948 179.368 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 10.5 mmpt? -60.36 -47.33 86.53 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.416 -179.487 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 68.0 mt -60.04 -51.79 68.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.01 -177.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.485 ' O ' HD13 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -69.83 -35.86 67.0 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 C-N-CA 121.068 -0.253 . . . . 0.0 111.462 -177.517 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.432 ' O ' HG23 ' A' ' 61' ' ' VAL . 6.2 mpt_? -65.99 -52.49 48.96 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -179.391 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.479 ' O ' HG23 ' A' ' 62' ' ' VAL . 31.1 tt0 -66.42 -33.17 75.11 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.32 -179.415 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 23.1 tp -62.52 -43.63 98.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.01 0.433 . . . . 0.0 110.02 178.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.59 ' HA ' ' SG ' ' A' ' 63' ' ' CYS . 32.0 t70 -62.24 -39.32 92.47 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.162 178.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 57' ' ' ARG . 67.2 t -64.04 -46.42 93.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.083 178.699 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 58' ' ' GLU . 59.7 t -64.35 -41.84 93.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.577 -178.662 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.59 ' SG ' ' HA ' ' A' ' 60' ' ' ASP . 11.8 p -70.78 -30.47 66.95 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 119.932 -0.707 . . . . 0.0 110.613 -178.738 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.57 -47.83 62.31 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.386 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.468 ' HG3' HD12 ' A' ' 66' ' ' ILE . 22.4 ptp -63.07 -35.78 81.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.944 0.402 . . . . 0.0 110.215 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.468 HD12 ' HG3' ' A' ' 65' ' ' MET . 1.5 mp -66.52 -39.27 83.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.641 177.491 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -66.16 -35.81 81.46 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.138 0.494 . . . . 0.0 110.319 179.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.74 -48.32 62.34 Favored Glycine 0 N--CA 1.443 -0.855 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.977 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.457 ' O ' ' HG ' ' A' ' 73' ' ' LEU . . . -67.06 -39.36 86.88 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.738 -0.231 . . . . 0.0 110.391 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.51 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 0.3 OUTLIER -57.96 -41.67 83.37 Favored 'General case' 0 C--O 1.215 -0.738 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 179.376 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.52 -42.5 93.58 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.55 -0.75 . . . . 0.0 112.505 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.71 -59.75 3.3 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 120.804 0.335 . . . . 0.0 111.402 -177.009 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 69' ' ' ALA . 4.5 pp -59.66 -34.55 72.98 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.703 -178.073 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.51 ' HB2' ' O ' ' A' ' 70' ' ' GLN . 0.2 OUTLIER -60.37 -53.05 62.23 Favored 'General case' 0 C--O 1.22 -0.451 0 O-C-N 123.312 0.382 . . . . 0.0 110.279 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -58.76 -36.36 74.25 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.169 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -68.98 -55.24 11.49 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.095 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.661 ' HB2' ' CE2' ' A' ' 90' ' ' TYR . 4.4 pp -61.0 -21.64 63.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.128 0.49 . . . . 0.0 112.014 -179.569 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 64.9 mmtt -74.81 -9.81 58.9 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.322 -179.184 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 . . . . . 0 N--CA 1.465 0.305 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.77 -176.009 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.7 tm? . . . . . 0 C--O 1.233 0.197 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -57.0 -44.56 82.87 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.911 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 87' ' ' ARG . 48.8 mtm105 -61.49 -40.97 96.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.114 0.483 . . . . 0.0 111.115 -179.28 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -62.88 -44.18 96.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.38 178.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -65.97 -47.34 74.88 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.032 178.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.661 ' CE2' ' HB2' ' A' ' 77' ' ' LEU . 4.0 m-30 -54.75 -54.34 43.32 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.061 0.458 . . . . 0.0 110.839 177.504 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -58.1 -46.85 84.84 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.529 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -63.77 -47.75 79.71 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 121.096 -0.242 . . . . 0.0 111.45 -178.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.06 -46.4 82.49 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 120.603 0.24 . . . . 0.0 110.963 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.445 ' O ' ' HG3' ' A' ' 98' ' ' LYS . 28.5 mm-40 -64.68 -36.08 83.1 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.899 178.747 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.524 ' O ' HD13 ' A' ' 99' ' ' ILE . 86.0 m -59.03 -44.92 91.81 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.065 0.46 . . . . 0.0 109.76 177.067 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 79.3 mt -70.74 -37.29 73.46 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.897 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.479 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 50.1 m -59.5 -51.44 69.85 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.282 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 94' ' ' GLN . 52.8 mtmt -60.88 -42.79 98.62 Favored 'General case' 0 C--N 1.34 0.173 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.92 -178.65 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.524 HD13 ' O ' ' A' ' 95' ' ' THR . 1.6 mp -61.36 -43.14 96.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.746 179.203 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.407 ' O ' HD23 ' A' ' 104' ' ' LEU . 79.1 mt -65.15 -45.67 84.04 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.967 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.519 ' O ' ' HG2' ' A' ' 105' ' ' LYS . 86.5 mt -58.01 -40.6 81.2 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.364 179.049 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -60.57 -48.11 83.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.172 177.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.15 -30.7 71.24 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.935 -0.306 . . . . 0.0 111.266 -177.299 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.407 HD23 ' O ' ' A' ' 100' ' ' LEU . 3.8 mm? -62.46 -51.24 68.27 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.103 0.478 . . . . 0.0 110.018 175.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.519 ' HG2' ' O ' ' A' ' 101' ' ' LEU . 1.1 mmmp? -61.62 -30.48 70.72 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.902 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -68.13 -41.09 82.19 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.608 0.718 . . . . 0.0 109.235 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.411 ' O ' HG23 ' A' ' 111' ' ' VAL . 48.9 m -62.9 -52.81 61.62 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.963 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.512 ' HG3' ' N ' ' A' ' 109' ' ' GLN . 5.0 pt-20 -54.11 -39.71 66.66 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 121.176 -0.21 . . . . 0.0 111.377 178.297 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.531 ' HA ' ' CD ' ' A' ' 112' ' ' LYS . 78.3 mt-30 -57.56 -40.38 78.81 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.932 178.308 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -68.9 -42.05 77.43 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.155 0.502 . . . . 0.0 110.919 178.076 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 107' ' ' THR . 82.5 t -59.22 -50.01 81.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.199 178.697 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.531 ' CD ' ' HA ' ' A' ' 109' ' ' GLN . 10.3 ptmt -72.31 -14.85 61.85 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.827 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -76.93 -28.73 55.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.346 177.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.441 HG22 HG23 ' A' ' 116' ' ' THR . 1.5 mp -72.23 119.85 19.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.866 0.841 . . . . 0.0 110.735 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.468 ' O ' ' HG2' ' A' ' 115' ' ' GLN . 15.4 pm0 -75.08 119.91 19.88 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 114.547 -1.206 . . . . 0.0 109.117 176.714 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.441 HG23 HG22 ' A' ' 114' ' ' ILE . 57.7 p -112.07 176.19 5.12 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 120.547 -0.461 . . . . 0.0 112.005 -179.266 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 10.3 tm0? . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.627 -0.702 . . . . 0.0 110.18 -177.546 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.504 HD23 ' HA ' ' A' ' 77' ' ' LEU . 8.9 mp . . . . . 0 C--O 1.236 0.388 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.445 HD11 ' CD1' ' A' ' 90' ' ' TYR . 22.0 mm -63.15 -31.34 52.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.534 -178.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -56.55 -47.5 79.32 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.489 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -69.25 -41.0 77.51 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.507 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.98 -47.39 74.67 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.174 176.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -61.44 -37.16 82.51 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.614 178.408 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 41.2 t-80 -71.69 -39.07 70.46 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.458 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.27 -45.51 84.22 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.6 pt -64.12 -33.81 64.77 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.145 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.456 179.245 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -62.11 -45.6 92.76 Favored 'General case' 0 C--O 1.244 0.798 0 CA-C-O 121.317 0.58 . . . . 0.0 109.528 175.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -65.61 -47.47 75.53 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.258 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.48 -43.73 98.47 Favored Glycine 0 C--O 1.222 -0.61 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.349 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.503 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 33.9 tt0 -57.54 -48.14 80.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.644 -0.278 . . . . 0.0 110.789 -179.46 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -67.42 -40.55 85.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.853 -177.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -71.47 -33.29 69.19 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 120.629 -0.429 . . . . 0.0 110.645 -179.264 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.589 HD23 HD23 ' A' ' 104' ' ' LEU . 1.9 tm? -67.04 -45.6 76.95 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 177.319 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 30' ' ' GLU . 97.3 mt -64.85 -34.64 78.86 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.937 179.576 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -68.62 -50.57 50.4 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.813 178.044 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.41 HD13 ' O ' ' A' ' 36' ' ' LEU . 1.7 tm? -62.33 -35.77 80.1 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.255 -178.282 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.403 ' O ' ' HB3' ' A' ' 40' ' ' LEU . 32.5 tt0 -61.95 -33.43 74.27 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.055 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -68.47 -42.91 78.04 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.867 176.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.406 ' O ' ' HB3' ' A' ' 42' ' ' GLU . 84.4 mm-40 -59.03 -42.1 89.39 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.586 176.165 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.432 HD22 HG23 ' A' ' 107' ' ' THR . 35.2 tp -52.05 -45.1 64.56 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.655 174.341 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -60.01 -39.19 84.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.273 0.558 . . . . 0.0 110.309 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.406 ' HB3' ' O ' ' A' ' 39' ' ' GLN . 14.5 tp10 -64.25 -41.25 97.05 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.197 179.078 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 34.6 tp -66.61 -32.07 73.17 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 120.745 0.307 . . . . 0.0 110.994 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.51 ' O ' ' HE3' ' A' ' 47' ' ' LYS . 12.3 m-80 -60.86 -37.09 80.92 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-O 121.083 0.468 . . . . 0.0 110.782 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -90.26 -40.36 12.2 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.958 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -77.94 -34.67 51.04 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -177.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.51 ' HE3' ' O ' ' A' ' 44' ' ' ASN . 31.9 mmtp 55.56 15.21 1.42 Allowed 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -178.699 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.0 t -64.23 122.46 16.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.566 0.222 . . . . 0.0 111.478 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.68 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -62.48 -40.67 97.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.22 178.946 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -60.6 -45.69 93.05 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 177.594 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.412 ' O ' HG13 ' A' ' 55' ' ' ILE . 50.9 tp -61.15 -40.27 93.21 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 177.593 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.613 ' OE1' HG22 ' A' ' 111' ' ' VAL . 4.6 tp60 -54.47 -52.7 61.05 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.126 176.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 20.3 mt-10 -58.58 -45.52 88.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.952 -178.792 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -63.54 -44.51 93.98 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.809 0.338 . . . . 0.0 111.542 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 51' ' ' LEU . 71.6 mt -63.18 -51.37 72.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.733 -178.551 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 16.3 tt -67.78 -35.45 72.54 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.587 -178.328 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.463 ' HB2' ' O ' ' A' ' 53' ' ' GLU . 3.9 mpt_? -66.09 -47.93 72.61 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.432 0.158 . . . . 0.0 111.271 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.49 -34.48 75.98 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.694 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 51.2 tp -63.46 -45.35 91.23 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.232 0.539 . . . . 0.0 109.912 178.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -61.81 -49.14 77.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.496 -0.775 . . . . 0.0 112.247 -178.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.5 p -62.27 -37.49 78.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 CA-C-O 120.782 0.325 . . . . 0.0 111.479 -178.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.9 t -72.11 -37.01 58.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.913 0.387 . . . . 0.0 110.005 178.51 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 46.8 t -64.83 -39.13 93.08 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.02 -48.1 69.4 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.75 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.427 ' HG3' HD12 ' A' ' 66' ' ' ILE . 21.1 ptp -63.04 -37.59 87.81 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.384 -179.261 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.427 HD12 ' HG3' ' A' ' 65' ' ' MET . 1.4 mp -65.04 -42.39 94.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.743 178.407 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -66.07 -39.73 90.3 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-O 120.906 0.384 . . . . 0.0 110.995 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.91 -46.56 89.02 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.187 -179.172 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.36 -39.78 85.72 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -62.94 -46.21 88.83 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.866 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.05 -42.09 96.86 Favored Glycine 0 C--O 1.241 0.579 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.141 -177.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.02 -55.17 18.03 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.191 -0.504 . . . . 0.0 110.66 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.477 ' HG ' HD23 ' A' ' 77' ' ' LEU . 34.3 tp -58.27 -41.94 85.44 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.988 -179.485 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -54.14 -52.23 61.76 Favored 'General case' 0 C--O 1.223 -0.328 0 O-C-N 123.422 0.451 . . . . 0.0 111.06 178.328 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -58.58 -41.1 84.97 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.618 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -69.41 -55.34 10.6 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.641 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.504 ' HA ' HD23 ' A' ' 18' ' ' LEU . 4.2 pp -59.58 -24.24 63.6 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 120.67 0.272 . . . . 0.0 111.662 -179.106 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.414 ' N ' HD12 ' A' ' 77' ' ' LEU . 14.7 mmtp -70.56 -15.51 62.78 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-O 121.16 0.505 . . . . 0.0 111.083 -177.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.446 ' HE ' ' HA ' ' A' ' 79' ' ' ARG . 2.9 tpm_? . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.656 178.397 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.1 tm? . . . . . 0 N--CA 1.455 -0.192 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -56.77 -47.42 80.17 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.956 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.484 ' C ' ' HD3' ' A' ' 87' ' ' ARG . 0.9 OUTLIER -61.05 -43.57 98.69 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.091 0.472 . . . . 0.0 110.349 -178.194 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -64.41 -43.5 94.2 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.751 179.017 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -60.5 -49.38 77.79 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.953 -179.169 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.445 ' CD1' HD11 ' A' ' 19' ' ' ILE . 6.8 m-30 -54.91 -47.79 73.89 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.923 178.225 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -58.56 -41.19 85.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.795 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -68.41 -51.2 46.53 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.981 -177.013 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.49 -39.54 84.11 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.027 0.441 . . . . 0.0 110.608 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.727 ' O ' ' HG2' ' A' ' 98' ' ' LYS . 36.2 tt0 -62.25 -40.85 97.56 Favored 'General case' 0 C--O 1.217 -0.625 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.555 177.38 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.538 ' O ' HG13 ' A' ' 99' ' ' ILE . 98.1 m -60.79 -45.45 94.36 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.222 179.578 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 89.7 mt -70.33 -41.1 73.68 Favored 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.076 -177.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 10.5 p -61.07 -39.75 91.07 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 121.108 0.48 . . . . 0.0 111.057 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.727 ' HG2' ' O ' ' A' ' 94' ' ' GLN . 74.2 mmtt -63.33 -35.96 82.1 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.5 178.183 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.538 HG13 ' O ' ' A' ' 95' ' ' THR . 80.8 mt -63.29 -43.53 98.7 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-O 121.099 0.476 . . . . 0.0 110.003 177.334 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.516 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 94.0 mt -63.64 -45.39 90.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.966 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.16 -45.04 92.04 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.964 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm -62.76 -43.73 98.03 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.155 178.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -67.23 -33.36 75.19 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.628 -179.184 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.589 HD23 HD23 ' A' ' 33' ' ' LEU . 97.4 mt -61.04 -50.69 72.29 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 120.957 0.408 . . . . 0.0 109.974 176.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -63.48 -30.42 71.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.8 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -70.69 -39.81 73.28 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 177.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.432 HG23 HD22 ' A' ' 40' ' ' LEU . 57.0 m -68.11 -48.46 65.39 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.007 178.263 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.401 ' O ' HG12 ' A' ' 111' ' ' VAL . 27.9 tt0 -51.17 -48.02 62.0 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.197 0.522 . . . . 0.0 110.483 175.727 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -58.11 -41.91 84.61 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.252 178.22 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.64 -49.42 59.34 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-O 121.661 0.743 . . . . 0.0 111.115 -178.32 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.613 HG22 ' OE1' ' A' ' 52' ' ' GLN . 9.6 p -61.39 -43.41 96.64 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.643 -177.248 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.472 ' HA ' HE22 ' A' ' 52' ' ' GLN . 15.0 pttp -71.39 -18.6 62.35 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-O 120.761 0.315 . . . . 0.0 110.645 177.496 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -73.88 -22.62 59.66 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.06 178.454 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.491 HG22 HG23 ' A' ' 116' ' ' THR . 1.6 mp -73.12 121.87 24.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-O 121.371 0.605 . . . . 0.0 109.705 178.244 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -76.71 119.79 21.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.197 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.491 HG23 HG22 ' A' ' 114' ' ' ILE . 38.4 p -124.77 153.73 41.99 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.522 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.55 ' HB2' ' HD2' ' A' ' 49' ' ' LYS . 38.9 mt-30 . . . . . 0 C--O 1.241 0.623 0 CA-C-O 118.492 -0.766 . . . . 0.0 110.893 176.199 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.3 mt . . . . . 0 C--O 1.239 0.529 0 CA-C-O 120.975 0.416 . . . . 0.0 111.41 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.482 HD11 ' CD1' ' A' ' 90' ' ' TYR . 39.7 mm -63.04 -25.21 38.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.705 -179.48 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.582 ' HA ' ' ND2' ' A' ' 23' ' ' ASN . 5.3 tp10 -62.23 -46.39 89.07 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.311 0.577 . . . . 0.0 110.427 178.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -72.02 -25.95 62.02 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.519 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.61 -47.94 24.39 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.983 -178.394 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.582 ' ND2' ' HA ' ' A' ' 20' ' ' GLU . 6.9 p30 -66.68 -30.52 70.79 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.492 -178.272 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -71.0 -41.78 70.48 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.564 178.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.98 -47.59 79.8 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.409 HG12 ' HA ' ' A' ' 23' ' ' ASN . 33.9 pt -64.97 -31.99 56.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.177 -179.605 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -62.37 -46.25 89.5 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-O 121.202 0.525 . . . . 0.0 109.597 176.092 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -63.85 -39.63 94.67 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.007 177.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.95 -43.72 97.84 Favored Glycine 0 C--N 1.339 0.734 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.996 178.288 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -56.1 -46.01 79.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.445 0.641 . . . . 0.0 110.119 178.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 53.9 m170 -67.33 -47.36 70.73 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.826 -177.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.4 HE21 ' HB2' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -70.63 -26.43 63.48 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.457 -178.093 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.448 HD23 HD23 ' A' ' 104' ' ' LEU . 1.6 tm? -70.7 -50.19 39.04 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 178.365 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 pp -66.51 -25.52 66.73 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.464 0.65 . . . . 0.0 110.011 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 92.8 t80 -68.96 -56.98 6.15 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 114.959 -1.018 . . . . 0.0 110.351 178.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.8 mt -63.07 -30.93 71.98 Favored 'General case' 0 CA--C 1.522 -0.098 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.971 -178.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.434 ' HG3' ' O ' ' A' ' 33' ' ' LEU . 95.1 mt-30 -57.42 -38.26 74.08 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.084 0.469 . . . . 0.0 109.822 177.404 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 65.4 t-80 -64.96 -37.54 87.97 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.552 177.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -72.96 -40.54 65.26 Favored 'General case' 0 N--CA 1.441 -0.881 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.685 -178.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.0 tp -53.1 -43.48 66.87 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.462 173.403 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.432 ' HA ' ' OD1' ' A' ' 44' ' ' ASN . 19.6 t70 -58.06 -42.8 86.23 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.311 0.577 . . . . 0.0 110.53 177.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -67.3 -47.46 70.52 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.8 178.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.552 HD11 ' HA ' ' A' ' 52' ' ' GLN . 7.7 tt -55.5 -50.65 69.38 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.997 0.919 . . . . 0.0 112.213 -179.207 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.526 ' HA ' HG12 ' A' ' 114' ' ' ILE . 1.1 p-10 -62.83 -29.54 70.81 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-O 121.236 0.541 . . . . 0.0 111.752 -176.619 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -84.91 -42.11 15.31 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.86 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -75.94 -29.53 58.35 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 115.901 -0.59 . . . . 0.0 112.181 -177.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.475 ' HE3' ' O ' ' A' ' 44' ' ' ASN . 33.5 mmtp 55.32 15.62 1.43 Allowed 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 114.433 1.271 . . . . 0.0 114.433 179.035 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 66.2 m -69.03 123.52 21.25 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.593 ' O ' ' HB3' ' A' ' 52' ' ' GLN . 16.8 pttp -61.37 -46.21 91.16 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.5 0.72 . . . . 0.0 112.123 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.442 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 3.7 mt-10 -63.46 -42.12 98.63 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 120.483 0.182 . . . . 0.0 111.102 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 44.4 tp -60.84 -40.86 94.45 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 176.023 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.593 ' HB3' ' O ' ' A' ' 49' ' ' LYS . 6.8 tp60 -54.25 -50.7 66.6 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.614 177.32 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -59.43 -44.21 92.95 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.04 -178.38 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 43.6 mmtm -68.84 -44.54 73.19 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -178.777 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.5 mp -57.67 -49.61 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 CA-C-O 120.636 0.255 . . . . 0.0 111.137 -179.229 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 16.8 tt -66.95 -30.71 50.5 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.528 0 CA-C-O 121.013 0.435 . . . . 0.0 110.662 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.49 ' HD2' ' HA ' ' A' ' 57' ' ' ARG . 18.2 tpt85 -66.94 -52.65 40.38 Favored 'General case' 0 N--CA 1.426 -1.668 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.623 -178.792 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.408 ' O ' HG23 ' A' ' 62' ' ' VAL . 35.4 mt-10 -67.41 -32.08 72.72 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.421 -0.512 . . . . 0.0 111.105 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 46.2 tp -63.45 -44.6 94.03 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 121.027 0.441 . . . . 0.0 109.996 178.089 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.517 ' HA ' ' SG ' ' A' ' 63' ' ' CYS . 28.3 t70 -59.79 -43.46 94.41 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.278 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 66.4 t -62.59 -48.08 89.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.926 0.394 . . . . 0.0 111.477 178.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 58' ' ' GLU . 93.7 t -65.41 -42.5 93.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.918 -178.171 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.517 ' SG ' ' HA ' ' A' ' 60' ' ' ASP . 24.6 p -66.16 -32.41 73.83 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 119.985 -0.686 . . . . 0.0 110.554 -178.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.0 -51.75 55.52 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.371 177.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.462 ' HG3' HD12 ' A' ' 66' ' ' ILE . 22.9 ptp -63.12 -37.92 89.12 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.916 -178.425 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.48 ' O ' ' HB2' ' A' ' 70' ' ' GLN . 1.4 mp -65.25 -46.09 91.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.355 179.351 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -69.37 -35.76 76.15 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -178.183 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.61 -48.23 69.82 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.275 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.01 -37.91 78.96 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.48 ' HB2' ' O ' ' A' ' 66' ' ' ILE . 5.7 tt0 -60.18 -44.59 94.94 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-O 121.366 0.603 . . . . 0.0 109.727 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -68.94 -42.64 77.27 Favored Glycine 0 C--O 1.241 0.569 0 CA-C-N 115.052 -0.976 . . . . 0.0 112.86 -178.33 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.58 -54.35 29.08 Favored 'General case' 0 C--O 1.244 0.788 0 CA-C-O 121.112 0.482 . . . . 0.0 110.82 -177.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.496 ' HG ' HD23 ' A' ' 77' ' ' LEU . 35.0 tp -60.1 -40.22 88.9 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.298 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.565 ' OE2' HD11 ' A' ' 77' ' ' LEU . 1.6 mm-40 -54.48 -52.38 62.08 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.979 0.419 . . . . 0.0 110.939 179.245 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -57.4 -41.71 80.82 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.743 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -70.33 -56.18 7.35 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.761 -178.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.565 HD11 ' OE2' ' A' ' 74' ' ' GLU . 3.9 pp -60.09 -22.92 63.36 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -178.536 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.488 ' N ' HD12 ' A' ' 77' ' ' LEU . 30.5 mmtm -69.24 -11.38 60.75 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -178.662 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 73.2 ttt-85 . . . . . 0 N--CA 1.46 0.068 0 CA-C-O 120.766 0.317 . . . . 0.0 111.115 -178.072 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.0 tm? . . . . . 0 CA--C 1.519 -0.232 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -60.46 -40.65 91.94 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.587 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 33.6 mtp180 -57.67 -51.89 67.66 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-O 121.516 0.675 . . . . 0.0 110.245 177.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -60.14 -43.07 95.99 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 114.615 -1.175 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.73 -50.05 68.43 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.234 -178.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.482 ' CD1' HD11 ' A' ' 19' ' ' ILE . 10.2 m-30 -55.58 -49.64 72.2 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.856 177.684 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.56 -49.46 72.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.331 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -68.14 -40.56 82.41 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -177.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.83 -46.69 86.77 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 120.746 0.308 . . . . 0.0 110.549 -178.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.414 ' HA ' ' OG ' ' A' ' 97' ' ' SER . 6.0 tp-100 -65.62 -32.29 73.78 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.183 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.456 ' O ' HG13 ' A' ' 99' ' ' ILE . 86.7 m -61.39 -47.39 86.01 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.655 176.066 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 88.2 mt -68.45 -38.31 81.01 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.751 -0.204 . . . . 0.0 111.528 -178.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.478 ' HB2' ' OE1' ' A' ' 70' ' ' GLN . 11.5 p -61.5 -43.33 99.07 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 120.962 0.411 . . . . 0.0 111.168 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -61.66 -37.39 83.87 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.704 177.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 95' ' ' THR . 89.4 mt -63.83 -47.71 89.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 CA-C-O 121.091 0.472 . . . . 0.0 110.064 178.125 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 97.3 mt -61.3 -46.01 92.08 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.684 -179.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.426 ' O ' ' HD2' ' A' ' 105' ' ' LYS . 4.0 mm? -62.22 -41.16 98.13 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.835 179.293 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -56.39 -52.16 65.66 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 176.041 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.56 -37.01 82.27 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -179.64 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.448 HD23 HD23 ' A' ' 33' ' ' LEU . 97.3 mt -64.96 -50.72 65.27 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 118.202 0.455 . . . . 0.0 109.999 176.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.643 ' O ' ' HG3' ' A' ' 109' ' ' GLN . 1.0 OUTLIER -58.7 -34.38 71.23 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.086 178.178 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.558 ' O ' ' HD3' ' A' ' 110' ' ' LYS . 42.9 tt0 -66.58 -39.39 88.43 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.922 0.392 . . . . 0.0 110.098 177.197 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.483 ' O ' HG23 ' A' ' 111' ' ' VAL . 63.5 m -61.11 -53.92 51.06 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.534 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -55.37 -37.96 68.21 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 111.565 0.209 . . . . 0.0 111.565 178.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.643 ' HG3' ' O ' ' A' ' 105' ' ' LYS . 97.9 mt-30 -56.63 -47.82 78.85 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 120.872 0.368 . . . . 0.0 110.332 176.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.558 ' HD3' ' O ' ' A' ' 106' ' ' GLU . 12.7 mptt -68.01 -41.05 82.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.27 -178.35 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 107' ' ' THR . 80.9 t -57.47 -53.24 46.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.048 177.464 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -65.74 -20.37 66.25 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.321 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -71.99 -30.57 65.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.966 179.195 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.526 HG12 ' HA ' ' A' ' 44' ' ' ASN . 1.7 mp -72.82 119.26 19.31 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 CA-C-O 121.486 0.66 . . . . 0.0 110.642 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -74.89 123.82 25.77 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.627 176.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.478 HG23 HG22 ' A' ' 114' ' ' ILE . 34.0 p -126.01 157.15 38.61 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 178.427 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.52 ' HB2' ' HD3' ' A' ' 49' ' ' LYS . 14.8 mm100 . . . . . 0 C--N 1.323 -0.566 0 CA-C-O 118.666 -0.683 . . . . 0.0 111.395 177.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.5 mt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.876 0.37 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.4 ' HA ' HD13 ' A' ' 19' ' ' ILE . 20.6 mm -68.12 -43.63 84.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.216 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.02 -42.7 76.87 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-O 120.941 0.4 . . . . 0.0 110.989 177.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -63.65 -50.96 67.25 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.418 178.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.74 -38.86 82.89 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.433 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -59.72 -36.34 76.36 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.586 179.259 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -70.0 -43.6 71.06 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.326 178.021 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.67 -44.17 87.11 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -178.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 36.8 pt -66.07 -37.13 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.114 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.995 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -62.91 -41.04 99.32 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 176.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -68.64 -47.22 67.15 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.521 ' O ' ' HG3' ' A' ' 32' ' ' GLN . . . -60.74 -42.9 99.6 Favored Glycine 0 C--O 1.224 -0.489 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.541 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.556 ' O ' HD23 ' A' ' 34' ' ' LEU . 28.7 tt0 -60.79 -44.39 96.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.224 0.535 . . . . 0.0 110.263 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -62.31 -44.19 97.08 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.003 -178.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.521 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -70.47 -23.62 62.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.814 179.812 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.49 HD11 ' OD1' ' A' ' 103' ' ' ASP . 2.5 tm? -68.79 -46.39 68.83 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 177.493 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.556 HD23 ' O ' ' A' ' 30' ' ' GLU . 4.1 mm? -64.93 -28.48 69.56 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.565 0.698 . . . . 0.0 109.469 177.211 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -69.51 -58.74 3.59 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.747 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.7 mt -63.79 -33.45 75.7 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.873 -178.429 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -58.42 -36.0 72.94 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 120.882 0.372 . . . . 0.0 110.069 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 18.1 m80 -68.78 -40.76 79.5 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.353 176.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -58.96 -41.82 88.41 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.742 176.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.1 tp -52.02 -47.61 64.91 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.876 173.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -57.32 -39.45 75.85 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.087 0.47 . . . . 0.0 110.699 178.419 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -67.31 -44.31 79.51 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.492 -0.777 . . . . 0.0 109.89 177.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 46.5 tp -54.69 -38.03 66.5 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.091 -0.959 . . . . 0.0 111.189 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -57.59 -36.01 71.17 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.232 0.539 . . . . 0.0 111.055 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -82.15 -46.65 13.51 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.157 -178.093 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -78.22 -36.71 46.82 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -175.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp 62.04 21.94 12.73 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 -174.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.7 t -64.29 116.83 6.42 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.294 -177.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.721 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -60.68 -37.59 82.11 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.415 176.357 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.437 ' CD ' ' HE2' ' A' ' 49' ' ' LYS . 5.2 mp0 -64.82 -45.29 86.81 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.722 178.484 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 49.4 tp -63.06 -40.02 96.46 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 177.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.13 -48.64 79.62 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.974 176.035 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -56.2 -49.68 73.38 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 123.777 0.831 . . . . 0.0 111.349 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.403 ' HE2' ' HB3' ' A' ' 54' ' ' LYS . 50.4 mtpt -62.41 -46.31 89.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.219 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.526 HG21 HG11 ' A' ' 111' ' ' VAL . 81.4 mt -61.75 -50.21 81.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.724 -178.683 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 22.7 mm -58.4 -46.16 89.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-O 120.825 0.345 . . . . 0.0 110.866 178.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 57' ' ' ARG . 1.6 mpt_? -67.42 -51.33 53.09 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -176.514 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.422 ' O ' HG23 ' A' ' 62' ' ' VAL . 44.3 mt-10 -70.01 -34.74 73.68 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 120.222 -0.591 . . . . 0.0 111.934 -178.765 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 23.5 tp -64.62 -46.31 83.13 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 178.23 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -60.94 -45.44 94.71 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.869 -179.008 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.409 HG22 ' HA ' ' A' ' 58' ' ' GLU . 31.2 m -64.52 -37.84 81.08 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.178 -178.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.497 HG11 ' NE2' ' A' ' 32' ' ' GLN . 91.2 t -70.27 -39.06 76.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 177.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.454 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 94.3 m -61.12 -41.96 97.66 Favored 'General case' 0 C--O 1.219 -0.511 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.036 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.62 -49.69 67.78 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.621 -178.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 22.5 ptp -66.63 -34.69 78.44 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.757 -179.042 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.4 mp -68.42 -43.9 83.75 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.581 177.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 63' ' ' CYS . 51.4 mt-10 -64.54 -34.54 78.47 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 121.226 0.536 . . . . 0.0 109.729 178.361 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.35 -45.86 82.81 Favored Glycine 0 N--CA 1.435 -1.41 0 CA-C-N 115.192 -0.913 . . . . 0.0 112.053 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.556 ' O ' ' HG ' ' A' ' 73' ' ' LEU . . . -72.02 -46.42 57.18 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.929 -0.136 . . . . 0.0 111.192 -179.59 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -60.79 -39.16 87.84 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-O 120.878 0.37 . . . . 0.0 110.159 -177.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -68.86 -41.59 82.04 Favored Glycine 0 C--O 1.239 0.424 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.036 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.56 -55.9 15.21 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.968 -0.616 . . . . 0.0 111.133 -178.143 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.649 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 4.3 pp -63.55 -35.28 79.97 Favored 'General case' 0 C--O 1.206 -1.206 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.571 -178.619 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.487 ' N ' HD12 ' A' ' 73' ' ' LEU . 9.3 tp10 -56.27 -53.39 57.75 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 121.318 0.58 . . . . 0.0 110.287 178.775 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 -60.89 -38.93 87.39 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.079 -179.175 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -73.6 -54.9 7.09 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.393 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.649 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 3.9 pp -58.51 -24.38 60.38 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -178.703 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.454 ' N ' HD12 ' A' ' 77' ' ' LEU . 12.0 mmtp -70.78 -20.06 62.64 Favored 'General case' 0 N--CA 1.437 -1.121 0 C-N-CA 119.897 -0.721 . . . . 0.0 111.487 -177.169 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 . . . . . 0 CA--C 1.512 -0.493 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.24 178.143 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 54.8 tp . . . . . 0 CA--C 1.517 -0.301 0 CA-C-O 120.761 0.315 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.17 -37.86 78.39 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.212 179.244 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 18.8 tpp85 -57.36 -49.75 75.17 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.252 0.549 . . . . 0.0 109.751 177.209 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -61.49 -44.35 97.23 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.58 179.09 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -58.79 -52.83 64.02 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.938 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.4 ' CD2' HD13 ' A' ' 77' ' ' LEU . 8.6 m-30 -55.52 -54.25 46.3 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.269 179.112 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.78 -37.94 80.48 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.319 -179.248 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -66.49 -47.18 73.85 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.556 178.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.2 -41.0 87.5 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 120.89 0.376 . . . . 0.0 110.518 178.304 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.523 ' O ' ' HG2' ' A' ' 98' ' ' LYS . 34.6 tt0 -61.0 -40.79 94.88 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.823 177.498 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.512 ' HA ' ' HE2' ' A' ' 98' ' ' LYS . 79.9 m -60.7 -50.2 74.44 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.107 178.747 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.428 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 86.9 mt -68.54 -40.12 80.82 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.27 -176.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.472 ' O ' HD23 ' A' ' 101' ' ' LEU . 16.6 p -60.74 -49.72 76.36 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -177.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' A' ' 94' ' ' GLN . 59.1 pttt -65.64 -30.46 71.17 Favored 'General case' 0 C--N 1.338 0.09 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.215 -178.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 95' ' ' THR . 74.8 mt -64.37 -43.06 97.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-O 121.145 0.498 . . . . 0.0 109.698 175.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 96' ' ' LEU . 94.2 mt -62.17 -44.36 96.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.361 179.241 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.472 HD23 ' O ' ' A' ' 97' ' ' SER . 4.3 mm? -55.98 -40.29 73.07 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.711 178.131 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 98' ' ' LYS . 51.3 mtmt -67.85 -35.89 79.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.403 179.28 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.49 ' OD1' HD11 ' A' ' 33' ' ' LEU . 4.6 t70 -70.51 -35.49 73.23 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.055 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 11.0 mp -63.95 -43.67 95.13 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 176.357 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.561 ' HA ' ' HG2' ' A' ' 108' ' ' GLU . 73.3 mmtt -63.24 -30.26 71.44 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.646 178.261 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -68.06 -40.72 82.73 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 176.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 26.1 m -65.74 -53.91 34.26 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.584 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.561 ' HG2' ' HA ' ' A' ' 105' ' ' LYS . 9.3 pt-20 -56.38 -37.29 69.88 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.343 178.427 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -57.17 -49.61 75.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.01 0.433 . . . . 0.0 110.737 177.297 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 35.5 mttp -64.19 -40.86 96.99 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -177.062 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.526 HG11 HG21 ' A' ' 55' ' ' ILE . 32.5 m -66.11 -34.92 73.44 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 C-N-CA 120.33 -0.548 . . . . 0.0 109.859 179.114 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -72.36 -18.13 61.77 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.727 175.472 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -76.21 -28.66 57.3 Favored 'General case' 0 CA--C 1.506 -0.714 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.717 177.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.7 mp -76.4 112.07 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.133 0.492 . . . . 0.0 110.083 176.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -69.01 126.41 29.72 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.655 176.212 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 36.8 p -116.47 175.72 5.43 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.341 -178.355 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 . . . . . 0 C--O 1.253 1.289 0 O-C-N 124.173 0.921 . . . . 0.0 111.603 179.791 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.659 HD13 ' HA ' ' A' ' 77' ' ' LEU . 16.1 mt . . . . . 0 C--O 1.235 0.31 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.553 HD11 ' CD1' ' A' ' 90' ' ' TYR . 14.7 mm -57.91 -35.3 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.347 179.036 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -59.12 -47.4 85.4 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.758 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -72.8 -25.76 61.27 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 121.038 0.447 . . . . 0.0 111.292 -178.439 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.34 -45.08 41.73 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 121.497 0.665 . . . . 0.0 109.278 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -64.49 -29.85 70.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.453 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -74.66 -45.34 45.32 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.539 178.028 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.73 -45.69 92.86 Favored 'General case' 0 CA--C 1.523 -0.091 0 N-CA-C 111.622 0.23 . . . . 0.0 111.622 179.248 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.5 pt -66.5 -32.37 57.74 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.173 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.572 179.347 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -61.72 -46.42 89.75 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 175.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -63.46 -44.99 92.9 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.014 178.225 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.62 -44.18 97.07 Favored Glycine 0 C--O 1.221 -0.666 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.357 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.456 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 36.0 tt0 -60.14 -44.86 94.62 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.302 0.572 . . . . 0.0 110.565 -179.269 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -65.79 -49.99 66.32 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.114 -178.198 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -66.93 -29.71 69.66 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.037 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.718 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 2.0 tm? -68.43 -50.09 55.25 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 177.517 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 30' ' ' GLU . 98.7 mt -64.31 -35.95 82.54 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.955 0.407 . . . . 0.0 110.502 -177.761 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -66.3 -49.4 67.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.523 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.4 ' O ' HD23 ' A' ' 36' ' ' LEU . 3.4 tt -62.96 -31.12 72.16 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.822 -179.268 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.718 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 14.2 mm-40 -58.16 -33.14 68.88 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.054 0.455 . . . . 0.0 110.266 177.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -71.81 -31.76 66.89 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.226 179.267 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.438 ' O ' ' HB3' ' A' ' 42' ' ' GLU . 28.1 mm-40 -72.28 -41.36 66.76 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.132 0.491 . . . . 0.0 110.285 178.068 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -52.01 -46.29 64.89 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.549 174.328 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -58.57 -41.27 85.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.085 178.02 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.438 ' HB3' ' O ' ' A' ' 39' ' ' GLN . 4.7 tp10 -61.45 -43.39 98.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.898 179.301 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.421 ' CD2' HG23 ' A' ' 111' ' ' VAL . 48.5 tp -64.73 -31.61 72.92 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 120.769 0.318 . . . . 0.0 111.021 -177.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -60.26 -38.21 82.8 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -88.14 -40.65 13.58 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.607 -178.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.459 ' OD1' ' HB2' ' A' ' 48' ' ' SER . 4.7 t-20 -74.66 -36.36 62.83 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -176.047 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.443 ' O ' HG22 ' A' ' 116' ' ' THR . 0.1 OUTLIER 55.0 16.59 1.55 Allowed 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -177.308 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.459 ' HB2' ' OD1' ' A' ' 46' ' ' ASN . 31.2 t -67.63 128.21 35.62 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 179.045 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.653 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -64.27 -41.55 96.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.924 176.115 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.512 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 42.2 mt-10 -62.38 -42.94 99.8 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.56 177.185 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 38.8 tp -62.04 -39.5 92.54 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 177.008 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.549 ' HB3' ' O ' ' A' ' 49' ' ' LYS . 2.9 tp-100 -53.76 -50.75 65.35 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.229 175.055 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.527 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 14.6 mm-40 -59.28 -50.35 74.33 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.177 -179.096 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.512 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 32.4 mmtp -62.25 -43.95 97.67 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.659 0.266 . . . . 0.0 110.844 -178.507 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 63.4 mt -61.88 -50.67 79.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.533 -179.165 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 15.0 tt -69.12 -33.86 60.64 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.364 -178.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.527 ' HB2' ' O ' ' A' ' 53' ' ' GLU . 0.6 OUTLIER -67.91 -48.78 65.02 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.006 -179.672 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -68.22 -32.67 73.05 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.456 178.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 48.6 tp -61.58 -47.61 84.7 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 177.395 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -64.0 -49.57 71.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.432 -0.803 . . . . 0.0 112.611 -177.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 34.5 m -61.84 -39.04 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.692 -177.592 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 98.0 t -72.35 -37.01 56.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 178.338 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 47.8 t -63.15 -43.95 96.89 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.263 178.666 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.53 -49.26 67.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.604 -177.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 21.2 ptp -61.34 -35.86 78.58 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.401 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.3 mp -68.94 -40.85 81.55 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.79 178.251 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -64.57 -40.38 95.46 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 120.888 0.375 . . . . 0.0 110.494 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.02 -48.19 61.43 Favored Glycine 0 N--CA 1.444 -0.822 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.62 -179.023 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.16 -39.5 82.59 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.588 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 27.0 tt0 -60.72 -42.76 97.91 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-O 121.135 0.493 . . . . 0.0 109.717 179.466 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.8 -41.13 93.78 Favored Glycine 0 C--O 1.241 0.54 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.983 -178.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.65 -56.7 9.46 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.13 0.491 . . . . 0.0 110.309 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.552 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 57.0 tp -56.32 -43.64 79.18 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.397 -179.461 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.588 ' HB2' ' O ' ' A' ' 70' ' ' GLN . 1.8 tm-20 -54.16 -51.4 64.46 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.228 0.537 . . . . 0.0 110.49 179.48 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -59.65 -41.95 91.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.002 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -70.5 -54.4 12.37 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -178.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.659 ' HA ' HD13 ' A' ' 18' ' ' LEU . 3.6 pp -56.83 -22.63 37.98 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.458 ' N ' HD12 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -66.63 -9.65 37.91 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -178.395 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 15.7 mmm-85 . . . . . 0 CA--C 1.534 0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.842 179.778 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.7 tt . . . . . 0 C--O 1.236 0.386 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -59.98 -40.57 89.58 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.287 179.007 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.4 tpp180 -54.15 -52.51 60.91 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 120.999 0.428 . . . . 0.0 110.286 176.316 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -60.77 -50.29 74.06 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.867 -178.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -60.54 -53.98 50.94 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -177.616 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.553 ' CD1' HD11 ' A' ' 19' ' ' ILE . 4.6 m-85 -55.33 -51.48 66.62 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.956 0.407 . . . . 0.0 111.396 179.125 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -55.28 -50.72 68.8 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.904 179.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.75 -44.49 89.93 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.168 -176.561 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.59 -43.02 98.17 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-O 121.092 0.473 . . . . 0.0 110.769 -178.284 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -66.79 -35.71 80.7 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.835 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.428 ' O ' HG13 ' A' ' 99' ' ' ILE . 90.1 m -56.84 -44.1 81.78 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.224 176.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 86.0 mt -69.2 -34.52 75.02 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.023 -179.221 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.424 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 37.2 m -57.17 -51.38 69.56 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.629 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -62.51 -37.16 84.96 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.679 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 95' ' ' THR . 81.0 mt -65.63 -46.49 89.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.939 0.399 . . . . 0.0 110.456 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 95.5 mt -61.47 -45.61 93.53 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.108 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 97' ' ' SER . 97.1 mt -63.56 -40.33 96.71 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.707 179.522 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.426 ' C ' ' HD2' ' A' ' 102' ' ' LYS . 5.4 tmmm? -65.47 -43.87 88.93 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.469 179.456 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -69.31 -34.32 74.48 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 -178.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 29.3 tp -63.39 -45.98 88.54 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.138 0.494 . . . . 0.0 109.862 177.312 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -60.64 -29.43 69.26 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.443 176.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.591 ' O ' ' HG2' ' A' ' 110' ' ' LYS . 0.7 OUTLIER -66.62 -36.67 83.14 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 176.243 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 10.0 m -65.46 -47.08 77.33 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 177.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -51.2 -47.42 62.25 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.388 0.613 . . . . 0.0 109.941 175.409 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.552 ' HA ' ' HE2' ' A' ' 112' ' ' LYS . 21.0 tt0 -61.04 -42.4 98.4 Favored 'General case' 0 N--CA 1.437 -1.108 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.744 178.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.591 ' HG2' ' O ' ' A' ' 106' ' ' GLU . 11.6 mmpt? -65.09 -48.06 75.03 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.864 0.364 . . . . 0.0 111.616 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.421 HG23 ' CD2' ' A' ' 43' ' ' LEU . 9.7 p -63.24 -43.04 98.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 -178.187 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.552 ' HE2' ' HA ' ' A' ' 109' ' ' GLN . 43.0 pttt -74.05 -15.29 61.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.921 0.391 . . . . 0.0 110.948 178.784 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -78.55 -27.38 45.84 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.976 177.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.5 mp -73.15 121.0 22.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 CA-C-O 121.414 0.626 . . . . 0.0 110.84 178.716 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -77.1 118.91 20.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.389 176.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.443 HG22 ' O ' ' A' ' 47' ' ' LYS . 3.0 p -122.38 -165.99 1.36 Allowed 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 178.299 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.521 ' HB3' ' HD2' ' A' ' 49' ' ' LYS . 19.5 tp60 . . . . . 0 C--O 1.247 0.948 0 CA-C-O 118.605 -0.712 . . . . 0.0 109.801 178.352 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.483 HD12 ' N ' ' A' ' 19' ' ' ILE . 0.9 OUTLIER . . . . . 0 CA--C 1.54 0.58 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.619 HD11 ' HD1' ' A' ' 90' ' ' TYR . 8.5 mm -69.53 -39.44 78.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 C-N-CA 120.482 -0.487 . . . . 0.0 111.141 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.5 -29.41 68.83 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.014 0.435 . . . . 0.0 110.249 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -67.81 -39.91 83.89 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.692 177.555 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.08 -37.73 57.87 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 121.707 0.765 . . . . 0.0 110.101 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -62.56 -35.36 79.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.609 -1.178 . . . . 0.0 109.694 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -69.72 -42.71 73.63 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.049 177.297 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.98 -45.83 93.21 Favored 'General case' 0 C--O 1.225 -0.202 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 35.0 pt -64.23 -37.82 80.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.999 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -60.84 -42.03 96.97 Favored 'General case' 0 C--O 1.245 0.861 0 CA-C-O 121.471 0.653 . . . . 0.0 109.316 176.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -65.83 -51.23 60.62 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.465 177.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.32 -44.41 89.56 Favored Glycine 0 C--O 1.224 -0.517 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.856 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -59.18 -43.32 92.15 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.183 0.516 . . . . 0.0 110.351 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.431 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 2.0 t60 -69.23 -47.49 64.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.839 -177.474 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.416 HE21 ' HB2' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -70.72 -28.66 64.9 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.364 -178.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.462 HD23 HD23 ' A' ' 104' ' ' LEU . 1.9 tm? -65.77 -48.57 71.39 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 176.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 31' ' ' HIS . 4.6 pp -67.03 -28.1 67.94 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.531 -0.467 . . . . 0.0 110.511 -179.066 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -67.79 -57.65 5.94 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.594 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -63.31 -31.2 72.29 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.106 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -62.82 -36.98 84.95 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 121.203 0.525 . . . . 0.0 109.76 178.074 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 48.5 t60 -65.76 -46.63 78.09 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 175.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -55.54 -44.39 76.68 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.516 176.571 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 31.6 tp -50.94 -48.86 60.72 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 123.413 0.685 . . . . 0.0 111.277 176.476 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -57.3 -41.56 80.07 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.805 0.336 . . . . 0.0 110.742 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -66.15 -43.3 87.4 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.515 0.674 . . . . 0.0 109.337 178.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.9 tp -56.64 -39.27 73.39 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.944 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.532 ' O ' ' HE3' ' A' ' 47' ' ' LYS . 63.1 m-20 -57.59 -36.41 71.7 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.07 0.462 . . . . 0.0 111.013 178.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -82.87 -45.58 14.07 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.546 -178.354 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.501 ' HB3' ' OG ' ' A' ' 48' ' ' SER . 4.3 m-20 -76.25 -37.01 58.21 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -174.343 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.532 ' HE3' ' O ' ' A' ' 44' ' ' ASN . 31.3 mmtp 56.64 22.7 7.0 Favored 'General case' 0 N--CA 1.489 1.475 0 CA-C-O 121.627 0.727 . . . . 0.0 109.617 -175.461 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.501 ' OG ' ' HB3' ' A' ' 46' ' ' ASN . 39.7 m -67.36 116.9 8.63 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.401 -177.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.592 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 0.2 OUTLIER -59.38 -44.44 92.77 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.914 -178.864 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -64.52 -34.46 78.28 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.03 178.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.438 ' HB3' ' HB2' ' A' ' 48' ' ' SER . 53.6 tp -67.07 -43.44 82.64 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 178.34 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -57.53 -46.65 83.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.86 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.592 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 17.2 mm-40 -60.16 -45.78 91.93 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.195 -177.652 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.2 mtmm -62.58 -43.7 98.15 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.895 0.378 . . . . 0.0 110.535 178.561 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 76.7 mt -61.95 -48.76 87.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.939 -178.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 69.0 mt -63.23 -41.79 94.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.28 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -69.12 -42.41 76.11 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -177.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.467 ' HA ' HG12 ' A' ' 61' ' ' VAL . 38.7 tt0 -72.53 -37.67 68.26 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.413 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.5 tp -62.21 -45.2 94.42 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.587 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -65.26 -46.73 79.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.994 -178.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.467 HG12 ' HA ' ' A' ' 58' ' ' GLU . 12.1 p -64.02 -37.66 80.38 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.218 -178.317 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 95.6 t -72.69 -37.03 54.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 177.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.485 ' SG ' ' HE3' ' A' ' 105' ' ' LYS . 44.6 t -64.3 -39.24 93.52 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 178.384 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.38 -44.12 79.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.283 -178.392 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.468 ' HG3' HD12 ' A' ' 66' ' ' ILE . 22.9 ptp -67.7 -36.65 81.04 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.138 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.468 HD12 ' HG3' ' A' ' 65' ' ' MET . 1.5 mp -67.89 -40.34 83.34 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.374 176.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -63.13 -39.07 93.6 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 121.098 0.475 . . . . 0.0 110.021 177.561 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.33 -44.71 93.08 Favored Glycine 0 N--CA 1.445 -0.764 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.051 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.19 -40.95 86.62 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 115.722 -0.239 . . . . 0.0 110.396 179.031 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -60.36 -43.63 96.33 Favored 'General case' 0 C--O 1.226 -0.15 0 CA-C-O 121.09 0.472 . . . . 0.0 110.534 179.072 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -64.26 -45.26 94.0 Favored Glycine 0 C--O 1.248 1.017 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.005 -179.35 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.82 -55.38 15.11 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.243 -0.478 . . . . 0.0 110.093 -179.107 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.64 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 36.8 mt -50.97 -54.82 20.99 Favored 'General case' 0 CA--C 1.5 -0.959 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.96 179.539 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.546 ' O ' ' HB2' ' A' ' 78' ' ' LYS . 8.7 mt-10 -53.96 -48.38 70.37 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 123.507 0.504 . . . . 0.0 112.213 -176.82 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 48.3 ttp180 -58.18 -43.64 87.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.762 0.315 . . . . 0.0 110.539 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -72.44 -56.55 5.24 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.235 -177.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.64 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 4.2 pp -62.25 -27.64 69.14 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -177.598 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.546 ' HB2' ' O ' ' A' ' 74' ' ' GLU . 0.6 OUTLIER -65.08 -27.5 68.82 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-O 121.124 0.488 . . . . 0.0 110.621 -176.951 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.148 -179.553 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.3 tm? . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -58.56 -44.93 89.87 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.582 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -61.85 -39.57 92.34 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 120.379 -0.528 . . . . 0.0 111.31 -179.473 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -67.05 -42.49 84.71 Favored 'General case' 0 N--CA 1.457 -0.087 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.548 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.96 -42.08 99.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.288 178.788 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.619 ' HD1' HD11 ' A' ' 19' ' ' ILE . 8.3 m-30 -54.38 -54.25 43.15 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.426 175.56 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -58.7 -41.11 85.52 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.6 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.8 tm-20 -70.03 -45.23 67.64 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.71 -177.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.79 -47.4 85.3 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -57.67 -37.73 73.91 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.291 178.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.498 ' O ' HD13 ' A' ' 99' ' ' ILE . 94.5 m -56.48 -48.34 77.34 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.35 177.672 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.472 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 85.1 mt -72.19 -40.46 67.89 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.127 -178.638 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 49.5 m -53.7 -52.53 59.76 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.209 179.035 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -60.86 -41.98 96.94 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.414 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.498 HD13 ' O ' ' A' ' 95' ' ' THR . 1.5 mp -59.82 -42.77 90.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-O 120.748 0.309 . . . . 0.0 110.524 178.326 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 96' ' ' LEU . 97.8 mt -63.65 -46.85 83.77 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.183 179.181 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 95.5 mt -58.91 -44.06 91.21 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.365 179.128 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -57.42 -53.39 58.66 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.945 176.038 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.87 -36.59 70.27 Favored 'General case' 0 C--O 1.241 0.634 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.462 HD23 HD23 ' A' ' 33' ' ' LEU . 96.2 mt -62.72 -50.77 69.82 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 121.014 0.435 . . . . 0.0 110.149 177.02 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.485 ' HE3' ' SG ' ' A' ' 63' ' ' CYS . 0.7 OUTLIER -62.74 -31.83 72.85 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.365 179.061 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -62.19 -42.68 99.51 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 176.214 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 35.6 m -64.24 -48.65 74.99 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.652 178.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.471 ' HG2' ' HD2' ' A' ' 112' ' ' LYS . 25.5 tt0 -51.74 -53.71 36.47 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.397 0.679 . . . . 0.0 111.261 177.347 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -56.21 -40.16 73.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.806 0.336 . . . . 0.0 111.253 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -68.98 -42.66 76.26 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -178.077 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 108' ' ' GLU . 33.7 m -66.51 -38.02 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 CA-C-O 120.975 0.417 . . . . 0.0 110.118 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.471 ' HD2' ' HG2' ' A' ' 108' ' ' GLU . 4.8 mtpm? -64.7 -35.62 81.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.417 176.372 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.59 -23.14 58.69 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.686 -177.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -74.69 142.52 14.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 CA-C-O 121.302 0.572 . . . . 0.0 111.169 -179.202 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -68.57 162.01 26.73 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.236 177.243 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.4 p -153.09 140.92 20.11 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.266 -177.014 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 . . . . . 0 C--N 1.313 -1.021 0 CA-C-O 118.733 -0.651 . . . . 0.0 111.783 -178.012 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.426 HD23 ' HB2' ' A' ' 77' ' ' LEU . 6.4 mp . . . . . 0 C--O 1.239 0.514 0 CA-C-O 121.067 0.461 . . . . 0.0 110.339 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 32.0 mm -63.99 -37.21 79.2 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.98 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.021 178.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -56.49 -47.77 78.58 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 120.967 0.413 . . . . 0.0 110.753 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -68.04 -36.83 80.55 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.899 -178.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.49 -41.47 55.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.681 0.753 . . . . 0.0 110.237 -178.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.543 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 56.4 t30 -63.51 -39.39 94.3 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.443 -1.253 . . . . 0.0 110.283 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 -72.38 -33.96 67.6 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 120.171 -0.612 . . . . 0.0 110.944 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.99 -43.18 99.51 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 121.158 -0.217 . . . . 0.0 111.25 178.42 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 31.4 pt -68.23 -31.84 53.26 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.125 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.844 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.543 ' HG3' ' O ' ' A' ' 23' ' ' ASN . 50.8 mt-10 -62.74 -40.57 97.64 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.282 0.563 . . . . 0.0 109.584 174.638 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -65.96 -44.8 83.91 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.317 178.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.96 -39.82 96.1 Favored Glycine 0 C--O 1.22 -0.764 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.033 177.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -58.42 -45.25 88.82 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.144 0.497 . . . . 0.0 110.625 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -67.23 -43.97 80.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.043 -177.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -73.83 -28.49 61.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.928 -177.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.443 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 1.6 tm? -65.51 -49.1 70.24 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 176.577 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.6 mt -65.45 -26.97 68.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.559 0.695 . . . . 0.0 109.76 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -67.18 -58.05 5.58 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.181 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -64.34 -31.22 72.34 Favored 'General case' 0 C--N 1.34 0.162 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.864 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.443 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 19.6 mm-40 -59.9 -37.28 78.98 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 121.227 0.537 . . . . 0.0 110.026 178.146 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -69.15 -35.03 75.9 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.185 178.046 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.461 ' HA ' ' OE1' ' A' ' 39' ' ' GLN . 11.0 mm-40 -67.51 -44.29 78.79 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-O 121.196 0.522 . . . . 0.0 109.667 179.097 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.8 tp -50.98 -45.64 61.06 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.727 176.323 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -58.81 -46.53 87.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.743 178.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -63.64 -40.81 97.81 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.88 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.0 tp -63.95 -31.9 73.25 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 120.625 0.25 . . . . 0.0 110.604 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -59.15 -31.52 69.04 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.039 178.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -83.58 -47.18 11.56 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.893 177.62 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -74.83 -37.94 62.15 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 121.166 0.508 . . . . 0.0 110.864 -175.591 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.444 ' O ' HG22 ' A' ' 116' ' ' THR . 0.1 OUTLIER 59.68 22.01 10.74 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.955 -179.044 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.6 t -71.32 129.61 39.3 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 121.128 0.49 . . . . 0.0 112.172 -176.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.413 ' HG3' ' H ' ' A' ' 50' ' ' GLU . 34.7 pttt -58.22 -47.84 82.24 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.641 175.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.443 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 35.6 mt-10 -60.9 -49.91 75.53 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.973 -178.515 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 56.1 tp -61.04 -40.84 95.14 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.219 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -58.41 -48.46 80.59 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.648 178.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -64.24 -42.52 96.5 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.952 -178.078 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 8.4 mtpm? -64.56 -42.98 95.32 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 120.719 0.295 . . . . 0.0 110.404 178.487 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 71.6 mt -62.77 -53.69 43.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.486 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 16.2 tt -65.92 -32.79 59.7 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -177.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -68.46 -47.81 66.15 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.965 178.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -65.8 -36.18 82.78 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.001 0.429 . . . . 0.0 110.303 178.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 38.4 tp -61.64 -49.73 75.36 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.338 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -64.15 -45.75 87.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.084 -177.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 33.5 m -63.22 -38.1 81.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 C-N-CA 120.659 -0.416 . . . . 0.0 111.639 -178.236 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.418 ' HA ' ' HG2' ' A' ' 65' ' ' MET . 92.8 t -73.18 -37.87 53.39 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 178.266 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.433 ' O ' ' HB2' ' A' ' 67' ' ' GLU . 42.4 t -62.87 -38.28 90.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.222 0.534 . . . . 0.0 109.721 179.035 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.96 -49.66 49.52 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.468 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.418 ' HG2' ' HA ' ' A' ' 62' ' ' VAL . 22.7 ptp -62.36 -38.82 91.02 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.478 -178.674 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.3 mp -66.58 -41.61 88.62 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.527 177.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 63' ' ' CYS . 0.3 OUTLIER -66.93 -39.53 87.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.107 0.479 . . . . 0.0 110.362 -179.176 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.57 -45.42 93.07 Favored Glycine 0 N--CA 1.442 -0.934 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.074 -178.587 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.88 -41.22 75.06 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.424 -0.388 . . . . 0.0 110.176 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.685 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 19.6 tm0? -61.82 -45.14 95.13 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-O 121.137 0.494 . . . . 0.0 110.264 -178.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -68.94 -45.8 62.02 Favored Glycine 0 C--O 1.243 0.678 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.657 -178.274 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.67 -53.64 38.37 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-O 121.022 0.439 . . . . 0.0 110.946 -177.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.545 ' HG ' HD23 ' A' ' 77' ' ' LEU . 28.6 tp -60.19 -43.84 95.58 Favored 'General case' 0 C--O 1.214 -0.804 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.387 -179.289 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.685 ' HB2' ' O ' ' A' ' 70' ' ' GLN . 0.8 OUTLIER -54.48 -53.89 48.3 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-O 121.746 0.784 . . . . 0.0 110.762 -178.249 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 28.9 ttm-85 -56.67 -42.89 79.8 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.45 -178.54 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -73.25 -54.69 7.79 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.979 -178.307 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.545 HD23 ' HG ' ' A' ' 73' ' ' LEU . 3.2 pp -53.2 -21.63 5.45 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -178.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.5 ' N ' HD12 ' A' ' 77' ' ' LEU . 21.6 mmtm -64.38 -45.13 89.04 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-O 121.127 0.489 . . . . 0.0 111.141 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.551 ' HD2' ' N ' ' A' ' 79' ' ' ARG . 4.8 mpt_? . . . . . 0 N--CA 1.468 0.435 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.488 -177.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 55.9 tp . . . . . 0 CA--C 1.519 -0.226 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -60.01 -39.39 85.64 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.229 178.174 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -58.58 -43.67 89.53 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-O 121.447 0.641 . . . . 0.0 109.816 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -70.04 -44.73 68.63 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.906 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -54.9 -51.97 64.36 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.692 178.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 15.0 m-30 -56.42 -45.24 80.79 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.567 179.036 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -58.19 -43.19 87.44 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.029 178.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -69.4 -36.9 77.2 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.209 0.528 . . . . 0.0 110.068 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.35 -46.22 89.66 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.769 179.085 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -57.23 -38.76 74.27 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.867 177.188 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.516 ' O ' HG13 ' A' ' 99' ' ' ILE . 43.6 m -59.03 -52.18 66.87 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.401 -178.298 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 90.1 mt -69.44 -37.81 77.56 Favored 'General case' 0 CA--C 1.516 -0.342 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.035 -177.347 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.41 ' HB3' ' HG3' ' A' ' 70' ' ' GLN . 42.6 m -58.14 -50.06 74.83 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.179 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -63.14 -39.67 95.35 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.154 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.516 HG13 ' O ' ' A' ' 95' ' ' THR . 80.4 mt -62.5 -41.22 91.11 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-O 121.167 0.508 . . . . 0.0 110.242 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -60.49 -47.81 84.51 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.75 178.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 95.0 mt -59.45 -39.85 84.93 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.804 179.131 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -63.93 -49.75 71.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.455 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.401 ' OD1' HD11 ' A' ' 33' ' ' LEU . 11.2 t70 -66.03 -36.9 84.52 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.492 -179.401 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 19.3 tp -61.93 -50.22 73.03 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.438 0.637 . . . . 0.0 110.118 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.413 ' O ' ' HB3' ' A' ' 108' ' ' GLU . 37.3 tttp -65.78 -25.54 67.3 Favored 'General case' 0 N--CA 1.439 -1.017 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.652 179.288 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.437 ' HG2' ' HE3' ' A' ' 110' ' ' LYS . 35.7 tt0 -65.67 -32.98 74.84 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 175.148 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 20.3 m -63.83 -46.56 84.49 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 175.419 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.413 ' HB3' ' O ' ' A' ' 105' ' ' LYS . 27.3 tt0 -51.36 -48.42 62.49 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.883 176.295 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.474 ' O ' ' HG2' ' A' ' 112' ' ' LYS . 57.0 tp60 -58.0 -43.24 86.5 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.079 179.447 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.437 ' HE3' ' HG2' ' A' ' 106' ' ' GLU . 96.8 mttt -71.97 -43.88 64.43 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.489 0.552 . . . . 0.0 112.489 -177.271 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.5 p -62.52 -42.8 97.19 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.458 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 109' ' ' GLN . 9.0 pttp -71.88 -21.3 61.67 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 121.029 0.442 . . . . 0.0 110.566 177.169 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -70.03 -32.67 70.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.217 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.431 HG22 HG23 ' A' ' 116' ' ' THR . 1.5 mp -69.44 118.25 13.47 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-O 120.833 0.349 . . . . 0.0 110.287 179.046 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -75.88 123.98 26.58 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 121.255 0.55 . . . . 0.0 110.052 176.067 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.444 HG22 ' O ' ' A' ' 47' ' ' LYS . 32.2 p -111.11 174.36 5.9 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -178.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 . . . . . 0 C--O 1.244 0.771 0 CA-C-N 114.909 -1.041 . . . . 0.0 111.135 -178.487 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.2 mt . . . . . 0 N--CA 1.468 0.438 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.444 HD11 ' CD1' ' A' ' 90' ' ' TYR . 24.0 mm -66.67 -36.12 76.47 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.525 0 CA-C-O 120.752 0.31 . . . . 0.0 110.5 -179.504 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -55.63 -46.4 77.43 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.263 178.388 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -66.29 -47.9 72.14 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 120.763 0.316 . . . . 0.0 110.437 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.59 -43.13 75.7 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 121.18 0.514 . . . . 0.0 110.92 177.066 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -60.36 -42.4 95.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.912 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -64.61 -45.17 88.06 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.345 177.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.5 -45.89 88.59 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.6 pt -65.26 -36.42 77.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 C-N-CA 120.524 -0.47 . . . . 0.0 111.015 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -63.94 -40.96 97.64 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-O 120.952 0.406 . . . . 0.0 110.254 175.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -65.55 -44.31 87.21 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 178.36 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.25 -43.14 93.69 Favored Glycine 0 C--O 1.222 -0.607 0 CA-C-N 115.479 -0.782 . . . . 0.0 112.188 177.529 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -56.51 -45.98 80.79 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.143 0.497 . . . . 0.0 110.353 178.472 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -64.18 -49.27 72.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.289 -177.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.05 -33.01 69.88 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -177.397 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.545 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 1.7 tm? -69.26 -50.3 48.22 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 178.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 69.3 mt -63.85 -33.07 74.85 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -66.29 -52.03 51.49 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.272 178.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.436 ' O ' HD23 ' A' ' 36' ' ' LEU . 5.6 tt -60.1 -34.28 73.26 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.927 -178.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.545 ' HG3' ' O ' ' A' ' 33' ' ' LEU . 91.5 mt-30 -58.42 -37.63 75.77 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 120.927 0.394 . . . . 0.0 110.192 178.552 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 51.7 m80 -66.17 -38.09 87.24 Favored 'General case' 0 C--O 1.247 0.922 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.601 178.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -68.97 -42.77 76.13 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.263 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.471 HD13 HG22 ' A' ' 111' ' ' VAL . 30.4 tp -51.42 -47.45 62.98 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.868 174.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -57.21 -40.0 76.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.246 0.546 . . . . 0.0 110.469 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -67.29 -44.26 79.72 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.053 176.672 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -58.58 -39.73 81.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.372 178.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -57.28 -34.07 68.28 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 121.042 0.449 . . . . 0.0 110.501 179.188 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -82.91 -42.9 17.14 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.854 -179.53 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.475 ' HB3' ' OG ' ' A' ' 48' ' ' SER . 23.9 m-80 -76.62 -35.94 57.75 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -176.242 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt 59.63 22.68 11.4 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 115.388 -0.823 . . . . 0.0 109.215 -175.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.475 ' OG ' ' HB3' ' A' ' 46' ' ' ASN . 53.0 m -69.18 120.1 14.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.176 -177.138 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.454 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 0.1 OUTLIER -62.45 -42.28 99.36 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.187 179.12 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.424 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 7.8 mm-40 -61.32 -46.01 92.04 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 116.784 -0.189 . . . . 0.0 111.06 179.191 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 45.2 tp -62.09 -41.54 98.29 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -60.29 -47.13 87.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.122 178.414 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.622 ' O ' ' HD3' ' A' ' 57' ' ' ARG . 7.3 mm-40 -61.09 -45.99 92.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.003 -178.829 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.455 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -62.86 -43.96 97.4 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 179.28 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 63.8 mt -61.23 -50.15 81.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.864 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 79.2 mt -61.94 -39.24 82.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.708 0.29 . . . . 0.0 110.942 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.622 ' HD3' ' O ' ' A' ' 53' ' ' GLU . 7.4 mpt_? -67.35 -48.45 67.46 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.604 -178.351 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.464 ' O ' HG22 ' A' ' 61' ' ' VAL . 10.8 pt-20 -69.49 -32.13 70.82 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 119.816 -0.754 . . . . 0.0 110.67 179.381 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.1 tt -61.84 -46.65 88.56 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 176.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -63.54 -43.81 96.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.888 -178.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' ' 57' ' ' ARG . 5.3 m -63.8 -37.65 80.28 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 120.449 -0.501 . . . . 0.0 110.811 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 72.0 t -70.21 -39.29 76.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 177.476 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 42.4 t -62.61 -41.56 99.07 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.87 178.663 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.71 -48.1 70.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.374 -178.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.421 ' HG3' HD12 ' A' ' 66' ' ' ILE . 23.2 ptp -65.61 -36.33 83.42 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.626 -179.42 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.421 HD12 ' HG3' ' A' ' 65' ' ' MET . 1.5 mp -67.83 -43.15 86.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.475 177.776 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -61.13 -39.64 90.79 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.103 0.478 . . . . 0.0 110.524 178.697 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -68.44 -48.14 53.11 Favored Glycine 0 N--CA 1.439 -1.145 0 CA-C-N 115.325 -0.852 . . . . 0.0 113.104 -177.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.06 -44.0 70.05 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.505 0.187 . . . . 0.0 111.505 -178.242 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.631 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 10.6 pt20 -63.57 -36.44 83.81 Favored 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.285 -178.702 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -69.27 -43.96 68.16 Favored Glycine 0 C--O 1.24 0.525 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.06 178.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.8 -53.78 29.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.108 -0.546 . . . . 0.0 110.138 -178.457 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.607 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 48.3 tp -56.19 -44.72 79.71 Favored 'General case' 0 C--O 1.214 -0.769 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.409 179.591 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.631 ' HB2' ' O ' ' A' ' 70' ' ' GLN . 2.3 tm-20 -55.68 -49.88 71.77 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.154 0.502 . . . . 0.0 110.362 -179.096 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -57.24 -45.74 83.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.003 178.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -71.24 -54.54 10.56 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.47 -176.498 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 2.9 pp -58.27 -19.43 34.29 Favored 'General case' 0 CA--C 1.516 -0.34 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.43 ' HD3' ' HA ' ' A' ' 78' ' ' LYS . 37.5 mmtt -72.64 -10.76 60.18 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 120.916 -0.314 . . . . 0.0 111.577 178.785 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 . . . . . 0 N--CA 1.463 0.194 0 CA-C-O 121.253 0.549 . . . . 0.0 110.033 -179.223 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.2 tm? . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.47 0.176 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -61.94 -41.12 97.59 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.714 -0.221 . . . . 0.0 111.155 -178.293 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -58.65 -45.68 88.8 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.065 0.46 . . . . 0.0 110.09 177.222 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -59.74 -42.17 92.58 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.647 177.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -61.77 -49.94 74.34 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.542 179.22 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.444 ' CD1' HD11 ' A' ' 19' ' ' ILE . 4.5 m-30 -54.72 -54.59 39.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.415 177.016 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -57.56 -48.6 78.89 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.045 -178.477 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.412 ' O ' ' HB ' ' A' ' 95' ' ' THR . 6.9 tp10 -66.33 -45.74 79.22 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.601 -177.635 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.98 -44.46 91.6 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-O 120.82 0.343 . . . . 0.0 111.017 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.449 ' O ' ' HG3' ' A' ' 98' ' ' LYS . 98.7 mt-30 -64.33 -35.02 79.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.397 178.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.488 ' O ' HG13 ' A' ' 99' ' ' ILE . 53.6 m -58.3 -46.77 85.5 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.943 175.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 85.6 mt -70.08 -34.91 73.76 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.09 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 46.6 m -60.06 -50.57 73.19 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.683 179.236 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 94' ' ' GLN . 43.5 mtmt -59.44 -38.14 79.94 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.629 179.268 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 95' ' ' THR . 84.2 mt -63.55 -45.84 96.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-O 121.278 0.561 . . . . 0.0 110.019 178.393 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 65.7 tp -59.16 -51.46 69.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.032 -0.985 . . . . 0.0 111.154 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.44 -39.77 88.68 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.043 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -64.15 -37.5 87.67 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.477 178.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -70.82 -34.99 72.29 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.299 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.06 -49.68 76.36 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 120.84 0.352 . . . . 0.0 110.407 177.339 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.434 ' O ' ' HG3' ' A' ' 109' ' ' GLN . 26.4 mtpp -64.24 -31.0 72.03 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.081 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.575 ' O ' ' HD3' ' A' ' 110' ' ' LYS . 42.8 tt0 -66.62 -41.34 88.5 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 177.442 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.471 HG23 HD22 ' A' ' 40' ' ' LEU . 57.0 m -67.68 -43.13 80.92 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 114.944 -1.025 . . . . 0.0 109.469 178.206 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -49.4 -55.67 12.23 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 123.621 0.768 . . . . 0.0 111.03 174.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.434 ' HG3' ' O ' ' A' ' 105' ' ' LYS . 88.3 mt-30 -59.2 -34.26 71.95 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.641 -179.54 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.575 ' HD3' ' O ' ' A' ' 106' ' ' GLU . 4.7 mptp? -66.22 -45.56 80.25 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.162 0.506 . . . . 0.0 111.71 179.166 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.471 HG22 HD13 ' A' ' 40' ' ' LEU . 46.7 t -60.22 -46.47 94.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.709 178.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -72.36 -15.23 61.86 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.274 -0.876 . . . . 0.0 111.173 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.461 ' HB3' ' O ' ' A' ' 110' ' ' LYS . 17.6 t70 -75.24 -31.48 60.84 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.073 178.262 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -73.9 125.01 32.41 Favored 'Isoleucine or valine' 0 C--O 1.242 0.664 0 CA-C-O 121.464 0.65 . . . . 0.0 111.33 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 27.0 pt20 -77.04 118.88 20.03 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.906 177.276 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 50.1 p -110.1 171.58 7.37 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -178.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 . . . . . 0 C--O 1.243 0.748 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.517 -179.093 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.9 mt . . . . . 0 N--CA 1.467 0.385 0 CA-C-O 121.004 0.43 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.495 HD11 ' CD1' ' A' ' 90' ' ' TYR . 23.4 mm -64.0 -23.95 34.59 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-O 121.2 0.524 . . . . 0.0 110.39 178.342 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.425 ' HA ' ' ND2' ' A' ' 23' ' ' ASN . 1.7 tm-20 -62.59 -53.11 59.45 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.216 176.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -61.09 -36.17 78.95 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.192 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.7 -50.49 13.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.997 -175.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.425 ' ND2' ' HA ' ' A' ' 20' ' ' GLU . 1.8 p30 -64.65 -32.57 74.29 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.066 -176.722 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -76.06 -39.3 55.75 Favored 'General case' 0 N--CA 1.443 -0.816 0 C-N-CA 120.38 -0.528 . . . . 0.0 111.312 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.96 -45.85 80.24 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 120.659 0.266 . . . . 0.0 111.513 179.157 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.7 pp -66.74 -32.11 56.56 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.151 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -63.2 -44.81 94.29 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 176.182 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.8 ttmp? -65.23 -43.17 92.29 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.12 178.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.455 ' O ' ' HG3' ' A' ' 32' ' ' GLN . . . -61.33 -41.74 99.59 Favored Glycine 0 C--N 1.336 0.577 0 C-N-CA 121.219 -0.515 . . . . 0.0 111.984 179.191 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.531 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 35.8 tt0 -57.69 -49.31 76.95 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 123.03 0.532 . . . . 0.0 110.554 179.244 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -68.81 -39.74 79.9 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.234 -177.572 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.455 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 5.2 pp0? -69.38 -29.38 67.14 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.004 178.425 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -66.11 -45.56 80.74 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 176.322 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 30' ' ' GLU . 69.3 mt -65.4 -35.24 80.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.968 179.408 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -66.48 -55.67 14.55 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.123 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.61 -30.69 70.0 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.882 0.372 . . . . 0.0 111.233 -178.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -57.82 -33.75 68.94 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-O 121.363 0.601 . . . . 0.0 109.781 178.016 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -69.55 -40.71 76.66 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.889 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -56.85 -43.71 81.43 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.142 176.07 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.4 tt -50.5 -49.13 56.34 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.466 175.51 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -56.49 -41.36 76.52 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 120.81 0.338 . . . . 0.0 111.568 179.179 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -68.1 -44.05 77.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.48 0.657 . . . . 0.0 109.487 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.1 tp -57.17 -42.4 81.07 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.296 178.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.639 ' O ' ' HE3' ' A' ' 47' ' ' LYS . 7.1 m-20 -59.24 -35.15 73.16 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.023 0.44 . . . . 0.0 111.193 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -79.4 -46.76 16.96 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.435 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -77.91 -34.08 51.53 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -175.092 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.639 ' HE3' ' O ' ' A' ' 44' ' ' ASN . 33.1 mmtp 58.93 25.24 13.48 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.445 -177.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.2 m -68.5 119.45 12.98 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.757 -178.322 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.526 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.3 OUTLIER -61.25 -42.04 97.95 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.911 179.283 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.449 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 5.4 pt-20 -64.57 -41.9 95.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.56 178.196 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 61.4 tp -64.48 -40.44 95.68 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.052 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -56.76 -47.93 78.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.522 178.16 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.489 ' HB3' ' NH1' ' A' ' 57' ' ' ARG . 43.1 mt-10 -63.43 -43.11 98.4 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.255 -177.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 7.8 mtpm? -64.59 -41.86 95.97 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.972 0.415 . . . . 0.0 110.317 179.181 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.462 ' O ' ' HB2' ' A' ' 59' ' ' LEU . 70.3 mt -60.21 -45.14 96.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.092 178.033 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 80.5 mt -67.51 -36.35 76.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.18 178.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.489 ' NH1' ' HB3' ' A' ' 53' ' ' GLU . 2.4 mpt_? -65.8 -46.26 79.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.801 -0.181 . . . . 0.0 111.056 -179.369 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.503 ' HA ' HG12 ' A' ' 61' ' ' VAL . 7.6 mm-40 -71.98 -32.75 67.54 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.137 178.16 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.462 ' HB2' ' O ' ' A' ' 55' ' ' ILE . 13.5 tp -63.09 -48.62 77.82 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.282 0.563 . . . . 0.0 109.656 177.533 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.498 ' HA ' ' SG ' ' A' ' 63' ' ' CYS . 27.5 t70 -61.47 -47.32 86.2 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.177 -179.281 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.503 HG12 ' HA ' ' A' ' 58' ' ' GLU . 7.5 p -63.85 -40.59 89.6 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -179.607 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 76.8 t -71.95 -41.0 68.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.598 -178.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.498 ' SG ' ' HA ' ' A' ' 60' ' ' ASP . 21.1 p -66.36 -32.77 74.37 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 119.771 -0.772 . . . . 0.0 110.667 -179.036 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.18 -46.13 61.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.436 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.462 ' HG3' HD12 ' A' ' 66' ' ' ILE . 21.9 ptp -65.65 -41.1 92.95 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.31 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.462 HD12 ' HG3' ' A' ' 65' ' ' MET . 1.4 mp -65.44 -43.91 94.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.836 178.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -68.44 -36.19 78.68 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 120.83 0.348 . . . . 0.0 111.298 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -68.18 -45.42 71.25 Favored Glycine 0 N--CA 1.442 -0.966 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.212 -179.544 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.57 -41.24 72.68 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.06 -41.48 96.69 Favored 'General case' 0 C--O 1.217 -0.609 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.418 ' O ' ' HG3' ' A' ' 74' ' ' GLU . . . -68.86 -46.87 58.47 Favored Glycine 0 C--O 1.245 0.806 0 CA-C-N 115.185 -0.916 . . . . 0.0 112.56 -179.161 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.47 -54.66 21.51 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.123 0.487 . . . . 0.0 110.723 -177.552 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.425 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 29.3 tp -56.14 -48.03 77.05 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.261 -179.302 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.672 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 2.5 pp20? -58.92 -40.42 84.5 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.931 -177.23 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -59.42 -44.34 92.89 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.249 177.375 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -65.06 -55.38 19.17 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.365 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.497 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 3.9 pp -60.13 -19.39 53.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.406 -179.187 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.672 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 29.8 mmtm -69.79 -38.54 76.71 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 121.009 0.433 . . . . 0.0 111.156 179.022 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 61.0 mtp85 . . . . . 0 CA--C 1.509 -0.601 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.771 -179.022 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 60.3 tp . . . . . 0 CA--C 1.515 -0.381 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -61.76 -40.95 96.93 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.578 179.159 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -54.24 -49.73 68.81 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 121.023 0.44 . . . . 0.0 110.056 176.636 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -60.97 -43.75 98.31 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.04 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -61.33 -50.56 72.43 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.095 179.08 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.495 ' CD1' HD11 ' A' ' 19' ' ' ILE . 3.8 m-30 -53.92 -53.91 46.11 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.23 0.538 . . . . 0.0 110.411 176.673 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -54.98 -51.32 66.59 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.124 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -62.29 -42.81 99.67 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -176.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.37 -47.55 83.65 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-O 121.064 0.459 . . . . 0.0 110.578 -177.612 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -68.42 -33.58 74.47 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.191 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.421 ' O ' HG13 ' A' ' 99' ' ' ILE . 52.7 m -59.16 -46.71 87.68 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.075 176.085 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.465 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 92.0 mt -65.03 -39.21 93.05 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.85 178.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.542 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 47.1 t -56.35 -45.96 80.2 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.965 178.531 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.408 ' HE2' ' HA ' ' A' ' 98' ' ' LYS . 8.4 mmpt? -63.04 -41.5 99.51 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.399 -178.649 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 95' ' ' THR . 78.2 mt -63.53 -44.02 98.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.235 179.466 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 96' ' ' LEU . 99.3 mt -63.37 -41.31 98.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.772 179.321 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 97' ' ' SER . 90.3 mt -64.49 -44.94 89.4 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.989 179.36 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -62.12 -42.87 99.67 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.678 179.426 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -64.63 -34.45 78.31 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.525 -0.47 . . . . 0.0 109.833 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 17.1 tp -64.88 -45.49 85.76 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 178.053 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 101' ' ' LEU . 32.1 mmmt -57.96 -39.24 77.63 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.893 176.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.481 ' O ' ' HG3' ' A' ' 110' ' ' LYS . 8.6 tp10 -60.85 -38.79 86.76 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 177.672 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 27.8 m -62.11 -55.39 29.37 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.389 -178.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -56.07 -41.14 74.65 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.437 0.161 . . . . 0.0 111.359 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -61.45 -42.19 98.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.402 179.17 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' A' ' 106' ' ' GLU . 29.5 mtpp -63.86 -41.11 97.87 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.4 0.619 . . . . 0.0 110.546 178.674 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 95.1 t -59.79 -42.28 88.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.535 177.614 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -66.96 -24.08 66.02 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.574 177.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -77.94 -21.7 50.68 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.733 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.1 mp -78.41 149.35 5.77 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-O 120.795 0.331 . . . . 0.0 110.379 -179.012 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -90.95 166.06 13.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.359 177.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.413 ' HB ' ' HB3' ' A' ' 49' ' ' LYS . 3.6 p -154.39 156.27 36.53 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.798 -0.183 . . . . 0.0 111.266 -172.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.715 -0.66 . . . . 0.0 110.976 177.432 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.7 mt . . . . . 0 N--CA 1.464 0.243 0 CA-C-O 120.829 0.347 . . . . 0.0 111.283 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.616 HD11 ' CD1' ' A' ' 90' ' ' TYR . 22.5 mm -64.09 -39.25 84.81 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.407 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.073 178.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -60.38 -34.48 73.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.72 178.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -71.4 -51.48 23.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.207 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.43 -43.51 83.93 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.195 177.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 41.0 t-20 -60.4 -37.92 82.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.683 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -68.28 -43.74 77.06 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.457 179.021 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.26 -47.97 77.52 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 35.7 pt -64.75 -36.69 78.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.103 -179.296 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -59.62 -45.4 92.05 Favored 'General case' 0 C--O 1.247 0.969 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 176.361 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.553 ' HB3' ' HZ2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -65.87 -41.63 91.37 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.706 177.935 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.37 -44.74 96.36 Favored Glycine 0 C--N 1.34 0.776 0 C-N-CA 121.341 -0.457 . . . . 0.0 112.577 179.372 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.5 tt0 -57.45 -46.77 83.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.263 0.554 . . . . 0.0 110.647 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.474 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 44.9 t-80 -63.6 -45.05 92.12 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.602 -177.744 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -72.84 -31.79 65.03 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.854 -0.338 . . . . 0.0 111.52 -179.039 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -65.24 -48.39 73.44 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 178.072 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 31' ' ' HIS . 4.7 pp -64.43 -27.0 68.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.049 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -69.92 -56.72 6.3 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.191 176.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 71.1 mt -62.71 -36.02 81.61 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.469 -175.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -59.56 -40.6 87.84 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 178.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 42.6 t60 -70.04 -33.69 72.29 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.156 177.623 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -65.11 -43.83 90.75 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.058 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.458 HD21 ' HB ' ' A' ' 111' ' ' VAL . 0.3 OUTLIER -54.48 -41.17 69.23 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.147 175.661 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -59.57 -39.76 85.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.243 0.544 . . . . 0.0 109.985 178.536 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -67.05 -44.18 80.84 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.316 177.239 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 38.3 tp -55.65 -36.69 67.33 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.866 177.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.407 ' OD1' HD11 ' A' ' 114' ' ' ILE . 13.5 m-80 -62.15 -33.45 74.52 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.353 0.597 . . . . 0.0 111.076 178.06 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -85.69 -48.36 8.92 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.007 -178.219 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.464 ' ND2' ' HB2' ' A' ' 48' ' ' SER . 59.2 t30 -78.85 -31.26 45.57 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 121.059 0.456 . . . . 0.0 111.371 -177.107 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.46 ' O ' HG22 ' A' ' 116' ' ' THR . 0.2 OUTLIER 58.17 22.52 9.22 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.439 -178.535 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.464 ' HB2' ' ND2' ' A' ' 46' ' ' ASN . 25.8 t -62.82 119.04 8.58 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.889 -178.761 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.683 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.4 OUTLIER -63.48 -40.15 96.33 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.439 177.704 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.517 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 34.6 mt-10 -62.69 -45.98 90.28 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 177.259 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 63.6 tp -60.22 -40.69 91.03 Favored 'General case' 0 C--O 1.223 -0.327 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 176.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.45 ' HB3' ' O ' ' A' ' 49' ' ' LYS . 18.9 tt0 -55.63 -49.4 72.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.672 176.766 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -61.48 -47.04 87.46 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.45 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.517 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 14.4 mmmm -59.45 -40.91 88.35 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 178.74 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.7 mt -62.57 -47.82 91.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.168 178.18 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 52' ' ' GLN . 35.8 mm -59.86 -42.67 89.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-O 120.973 0.416 . . . . 0.0 110.619 177.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? -68.08 -44.92 75.18 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.895 -177.384 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.423 ' O ' HG23 ' A' ' 62' ' ' VAL . 7.5 tp10 -73.02 -34.8 66.57 Favored 'General case' 0 N--CA 1.432 -1.363 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.276 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.6 tp -61.99 -46.67 88.2 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 178.169 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -58.69 -49.66 76.74 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.142 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.3 p -63.02 -37.18 78.67 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 CA-C-O 120.821 0.343 . . . . 0.0 110.844 -178.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 58' ' ' GLU . 53.9 t -68.03 -44.85 84.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.166 177.575 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 76.3 m -61.75 -42.39 98.91 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.27 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.77 -48.05 67.44 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -178.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.444 ' HG3' HD12 ' A' ' 66' ' ' ILE . 21.3 ptp -65.36 -39.71 92.68 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.555 -178.779 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.444 HD12 ' HG3' ' A' ' 65' ' ' MET . 1.4 mp -64.77 -43.45 96.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.429 178.336 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -66.46 -37.88 86.11 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 120.806 0.336 . . . . 0.0 111.23 -179.367 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.98 -48.11 68.5 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 121.066 -0.588 . . . . 0.0 112.456 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.31 -40.89 86.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.966 -0.117 . . . . 0.0 110.747 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.66 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 58.9 mt-30 -62.77 -43.26 99.26 Favored 'General case' 0 C--O 1.21 -0.976 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.828 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.84 -43.77 93.31 Favored Glycine 0 C--O 1.239 0.414 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.554 -177.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.49 -54.19 26.76 Favored 'General case' 0 C--O 1.242 0.679 0 CA-C-O 121.336 0.589 . . . . 0.0 110.468 -178.483 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.562 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 53.2 tp -60.19 -41.84 93.79 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.177 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.66 ' HB2' ' O ' ' A' ' 70' ' ' GLN . 1.4 tm-20 -54.14 -51.71 63.41 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.996 0.427 . . . . 0.0 110.621 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 75' ' ' ARG . 16.2 ttm180 -58.31 -39.17 78.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.843 179.387 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -72.69 -55.85 6.18 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.244 -178.128 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.634 ' O ' ' HE2' ' A' ' 90' ' ' TYR . 3.5 pp -62.33 -21.16 65.06 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -178.42 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.456 ' N ' HD12 ' A' ' 77' ' ' LEU . 16.6 mmtp -68.36 -17.07 64.15 Favored 'General case' 0 C--N 1.305 -1.328 0 C-N-CA 119.74 -0.784 . . . . 0.0 111.892 -177.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 39.2 ttt85 . . . . . 0 N--CA 1.447 -0.606 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.969 178.293 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.8 tt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.496 0.188 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -59.1 -40.31 84.9 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.367 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -61.2 -45.08 96.06 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.161 0.505 . . . . 0.0 110.653 -178.386 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -70.23 -48.18 58.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.297 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -56.47 -50.72 70.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.523 -179.312 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.634 ' HE2' ' O ' ' A' ' 77' ' ' LEU . 4.1 m-30 -55.64 -44.72 77.43 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.816 176.708 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -59.79 -40.86 89.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.479 -179.383 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -65.64 -47.42 75.64 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.348 178.689 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.66 -46.29 84.42 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.715 0.293 . . . . 0.0 110.75 178.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.412 ' O ' ' HG3' ' A' ' 98' ' ' LYS . 50.2 mt-30 -58.61 -38.63 78.4 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.169 177.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.523 ' O ' HG13 ' A' ' 99' ' ' ILE . 97.6 m -60.88 -49.17 78.54 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.827 179.188 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 81.9 mt -67.98 -37.16 81.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.185 -178.207 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.449 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 43.3 m -58.12 -48.97 78.58 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.8 179.64 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.412 ' HG3' ' O ' ' A' ' 94' ' ' GLN . 95.4 mttt -65.07 -32.47 74.2 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.164 -178.355 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 95' ' ' THR . 72.0 mt -67.49 -46.0 84.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-O 120.998 0.428 . . . . 0.0 110.244 177.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -61.58 -45.64 93.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.433 -179.27 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 97' ' ' SER . 97.2 mt -59.8 -41.94 92.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.478 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -65.39 -40.13 93.08 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.215 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -68.6 -36.33 78.54 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 30.8 tp -65.44 -44.23 87.96 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 121.233 0.539 . . . . 0.0 109.885 178.404 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -59.24 -30.24 68.11 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.064 176.261 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -68.31 -32.43 72.56 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 176.259 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 17.6 m -63.44 -49.36 74.01 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 176.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -53.06 -46.31 68.49 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.722 175.481 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -59.59 -40.63 88.07 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.889 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.6 tppt? -64.55 -49.24 72.0 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.764 -178.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.458 ' HB ' HD21 ' A' ' 40' ' ' LEU . 7.7 p -67.69 -39.67 82.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.499 -177.082 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 17.5 pttp -69.38 -20.59 63.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.889 0.376 . . . . 0.0 110.544 178.147 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -77.29 -30.06 54.03 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.054 178.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.407 HD11 ' OD1' ' A' ' 44' ' ' ASN . 1.4 mp -70.92 119.17 16.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 CA-C-O 121.811 0.815 . . . . 0.0 111.405 -178.021 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 14.9 pm0 -76.91 117.7 18.77 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.763 -1.108 . . . . 0.0 110.441 175.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.461 ' HB ' ' HB3' ' A' ' 49' ' ' LYS . 11.7 p -118.45 -170.25 1.86 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.54 0.21 . . . . 0.0 111.369 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 55.4 tp60 . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.456 -0.783 . . . . 0.0 110.342 -178.516 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.483 HD13 ' HA ' ' A' ' 77' ' ' LEU . 64.2 mt . . . . . 0 C--O 1.24 0.601 0 CA-C-O 120.92 0.391 . . . . 0.0 111.507 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.524 HD11 ' HD1' ' A' ' 90' ' ' TYR . 18.2 mm -59.24 -33.63 51.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.245 179.035 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.09 -51.83 68.36 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -59.82 -38.38 81.82 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.353 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.08 -38.15 69.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.516 0.674 . . . . 0.0 109.958 -179.332 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -64.59 -34.92 79.39 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.752 178.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.17 -46.01 71.91 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.349 178.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.5 ' O ' ' HG2' ' A' ' 28' ' ' LYS . . . -60.98 -46.5 90.49 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 178.774 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.3 pt -63.87 -35.59 73.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.057 -0.657 . . . . 0.0 110.71 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.416 ' O ' ' HD2' ' A' ' 31' ' ' HIS . 49.3 tp10 -60.24 -50.46 73.58 Favored 'General case' 0 C--O 1.247 0.956 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.119 177.304 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -64.23 -42.71 96.44 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 120.464 -0.495 . . . . 0.0 109.878 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.73 -43.89 96.13 Favored Glycine 0 C--N 1.341 0.81 0 CA-C-N 116.361 -0.381 . . . . 0.0 113.096 179.239 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.419 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 41.0 mt-10 -57.31 -48.48 78.83 Favored 'General case' 0 CA--C 1.508 -0.673 0 CA-C-O 120.747 0.308 . . . . 0.0 111.213 179.676 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.416 ' HD2' ' O ' ' A' ' 27' ' ' GLU . 31.4 m-70 -67.31 -32.79 74.01 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.539 -0.464 . . . . 0.0 111.33 -178.063 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -69.1 -45.28 70.61 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 176.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 104' ' ' LEU . 1.8 tm? -61.06 -51.43 69.21 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.727 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 30' ' ' GLU . 42.1 mt -63.85 -29.39 70.58 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 120.927 0.394 . . . . 0.0 110.347 -179.255 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -66.37 -54.14 27.88 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.251 177.439 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.0 mt -61.01 -32.43 72.02 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.571 -179.104 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' A' ' 33' ' ' LEU . 87.3 mt-30 -61.66 -34.28 75.44 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.182 0.515 . . . . 0.0 110.265 177.719 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -70.48 -39.25 74.33 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.102 177.282 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -62.8 -42.17 99.59 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 177.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.523 HD21 ' HB3' ' A' ' 110' ' ' LYS . 3.2 tm? -50.13 -51.42 43.38 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.527 176.496 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -56.36 -43.51 79.21 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-O 120.963 0.411 . . . . 0.0 110.978 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -64.45 -45.94 85.28 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 121.452 0.644 . . . . 0.0 110.148 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 39.8 tp -56.27 -41.53 75.98 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.936 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -57.81 -34.68 69.9 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.858 0.361 . . . . 0.0 111.109 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -80.03 -44.9 19.31 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.035 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -77.39 -35.9 53.96 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -176.053 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.404 ' O ' HG22 ' A' ' 116' ' ' THR . 43.0 mmtm 58.53 21.55 8.72 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.576 -175.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.0 t -68.9 124.9 24.97 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.303 -176.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.697 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -63.61 -39.87 95.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.564 176.538 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -65.66 -45.92 81.13 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.116 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.416 ' O ' HG13 ' A' ' 55' ' ' ILE . 46.9 tp -62.87 -41.34 99.35 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 178.487 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -58.13 -43.94 87.53 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.896 178.35 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.769 ' O ' ' HG2' ' A' ' 57' ' ' ARG . 12.3 mm-40 -59.22 -51.21 70.96 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.621 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -63.69 -41.79 98.1 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.718 0.294 . . . . 0.0 110.616 -177.029 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.518 ' O ' ' HB2' ' A' ' 59' ' ' LEU . 81.8 mt -59.28 -41.36 83.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.325 179.078 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 80.6 mt -72.26 -36.56 56.09 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 178.551 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.769 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 31.3 mmt180 -66.45 -52.2 48.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.016 -178.109 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.47 -32.99 74.71 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.998 179.464 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.518 ' HB2' ' O ' ' A' ' 55' ' ' ILE . 5.7 tt -62.6 -46.66 87.28 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 177.712 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -59.01 -45.74 89.95 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.43 -178.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 57' ' ' ARG . 61.6 t -62.16 -47.96 90.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.949 0.404 . . . . 0.0 111.202 -179.397 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.5 t -66.83 -39.83 84.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.721 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 43.6 t -61.99 -41.59 98.21 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.051 0.453 . . . . 0.0 109.995 178.681 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.45 -49.57 73.15 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.61 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.451 ' HG3' HD12 ' A' ' 66' ' ' ILE . 22.4 ptp -64.74 -35.67 81.83 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.554 -0.459 . . . . 0.0 110.62 -178.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.451 HD12 ' HG3' ' A' ' 65' ' ' MET . 1.4 mp -67.6 -46.94 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.094 178.526 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -62.31 -35.13 78.09 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.188 0.518 . . . . 0.0 110.094 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.27 -43.74 94.78 Favored Glycine 0 N--CA 1.438 -1.179 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.74 178.137 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 73' ' ' LEU . . . -70.27 -41.55 73.29 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 115.867 -0.167 . . . . 0.0 111.062 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -57.16 -43.21 82.32 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.226 0.536 . . . . 0.0 110.146 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.72 -46.61 73.92 Favored Glycine 0 CA--C 1.525 0.676 0 CA-C-N 115.189 -0.914 . . . . 0.0 112.701 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.53 -29.35 64.66 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-O 121.207 0.527 . . . . 0.0 111.33 -176.632 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.618 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 1.3 mm? -73.22 -56.45 5.07 Favored 'General case' 0 CA--C 1.5 -0.972 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.332 -174.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -56.68 -45.49 81.71 Favored 'General case' 0 C--O 1.215 -0.716 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.041 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 52.8 ttp180 -53.79 -47.83 70.39 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.75 -179.608 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.92 -56.22 4.78 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -179.025 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 4.3 pp -58.47 -26.2 63.12 Favored 'General case' 0 C--O 1.217 -0.622 0 N-CA-C 112.789 0.662 . . . . 0.0 112.789 -176.144 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.442 ' N ' HD12 ' A' ' 77' ' ' LEU . 11.0 mmmm -72.35 -31.77 65.91 Favored 'General case' 0 N--CA 1.435 -1.212 0 CA-C-O 121.077 0.465 . . . . 0.0 111.575 -178.152 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 . . . . . 0 CA--C 1.511 -0.553 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.997 -177.488 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.6 tm? . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -61.13 -45.48 94.47 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.214 177.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.6 ppt_? -62.52 -32.55 73.51 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 120.166 -0.614 . . . . 0.0 110.577 -178.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -69.76 -41.9 74.58 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.391 177.248 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -59.03 -49.34 78.25 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.308 0.575 . . . . 0.0 109.532 177.657 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.524 ' HD1' HD11 ' A' ' 19' ' ' ILE . 4.4 m-30 -55.97 -47.59 77.38 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.277 178.713 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -56.0 -46.71 78.66 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.72 178.221 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -63.33 -48.84 76.34 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.079 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.43 -44.88 85.04 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.129 0.49 . . . . 0.0 110.527 179.106 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -60.35 -42.19 95.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.858 177.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.499 ' O ' HG13 ' A' ' 99' ' ' ILE . 63.1 m -58.92 -53.36 59.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.27 177.727 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 86.7 mt -68.93 -39.26 79.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.881 -175.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.428 ' O ' HD23 ' A' ' 101' ' ' LEU . 31.6 p -60.84 -51.1 70.76 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -177.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -67.45 -29.61 69.11 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 120.562 -0.455 . . . . 0.0 111.38 -178.323 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 95' ' ' THR . 74.7 mt -64.16 -45.33 96.72 Favored 'Isoleucine or valine' 0 C--N 1.343 0.295 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 175.098 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 69.0 tp -62.8 -45.96 90.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.138 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.428 HD23 ' O ' ' A' ' 97' ' ' SER . 4.1 mm? -60.38 -43.29 96.74 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.965 179.345 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 22.2 ttpp -60.3 -52.21 66.23 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.231 178.247 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.65 -34.06 70.79 Favored 'General case' 0 C--O 1.242 0.687 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.464 ' HA ' HD23 ' A' ' 33' ' ' LEU . 61.1 tp -63.45 -48.0 79.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.992 0.425 . . . . 0.0 110.132 177.482 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.441 ' O ' ' HG3' ' A' ' 109' ' ' GLN . 95.0 mttt -60.62 -32.07 71.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.159 178.696 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -62.73 -42.23 99.56 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.538 0.685 . . . . 0.0 109.516 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.516 ' O ' HG23 ' A' ' 111' ' ' VAL . 10.8 m -66.79 -47.13 73.07 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.133 -0.94 . . . . 0.0 109.966 179.504 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -51.75 -52.07 51.48 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 122.448 0.299 . . . . 0.0 111.45 177.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.441 ' HG3' ' O ' ' A' ' 105' ' ' LYS . 77.4 mt-30 -54.68 -41.85 70.7 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.266 178.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.523 ' HB3' HD21 ' A' ' 40' ' ' LEU . 5.8 ttmm -62.92 -45.49 92.25 Favored 'General case' 0 N--CA 1.438 -1.039 0 CA-C-O 121.385 0.612 . . . . 0.0 110.611 179.437 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 107' ' ' THR . 99.0 t -58.83 -51.83 67.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.684 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 109' ' ' GLN . 13.5 ptmm? -69.1 -21.81 64.02 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.454 -178.571 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -79.15 -21.62 46.24 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.3 mp -71.49 120.48 19.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 174.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -71.19 123.18 21.61 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.083 0.468 . . . . 0.0 111.127 177.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.404 HG22 ' O ' ' A' ' 47' ' ' LYS . 60.5 p -115.95 -174.49 2.55 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.74 177.755 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 . . . . . 0 C--O 1.253 1.268 0 C-N-CA 123.194 0.598 . . . . 0.0 110.91 -179.312 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.424 ' HA ' HD11 ' A' ' 73' ' ' LEU . 84.1 mt . . . . . 0 N--CA 1.476 0.83 0 CA-C-O 121.349 0.595 . . . . 0.0 111.522 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.554 HD11 ' CD1' ' A' ' 90' ' ' TYR . 27.4 mm -66.54 -25.63 35.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.12 0.486 . . . . 0.0 109.915 178.511 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -57.33 -53.46 57.87 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.056 177.352 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -61.88 -44.4 96.88 Favored 'General case' 0 CA--C 1.501 -0.925 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.953 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.78 -52.83 62.61 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.156 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -66.83 -40.91 88.15 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -69.74 -40.29 76.28 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 119.722 -0.791 . . . . 0.0 111.057 -179.092 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.13 -41.79 98.6 Favored 'General case' 0 C--O 1.225 -0.214 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 178.098 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.2 pt -68.6 -35.78 71.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 C-N-CA 120.418 -0.513 . . . . 0.0 111.306 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.62 -47.67 77.72 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 120.911 0.386 . . . . 0.0 110.334 176.471 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -65.08 -45.08 86.71 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.447 ' O ' ' HG3' ' A' ' 32' ' ' GLN . . . -58.75 -44.86 95.56 Favored Glycine 0 N--CA 1.444 -0.798 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.853 179.285 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.415 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 38.4 tt0 -61.51 -47.82 83.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.132 0.491 . . . . 0.0 110.91 -179.512 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -64.04 -45.1 90.33 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.585 -176.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.456 ' CD ' HG11 ' A' ' 62' ' ' VAL . 4.5 pp0? -71.25 -31.7 67.84 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.606 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.541 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 2.2 tm? -66.85 -46.34 75.38 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 178.364 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 30' ' ' GLU . 95.1 mt -65.01 -30.12 71.08 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 178.22 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -66.29 -55.94 13.63 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.099 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.45 ' CD1' HG21 ' A' ' 107' ' ' THR . 4.7 pp -62.82 -28.01 69.71 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.617 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.541 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 74.1 mm-40 -53.11 -39.84 63.73 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 72.2 m80 -64.9 -44.8 88.4 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.973 177.66 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -55.14 -52.6 62.78 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.063 178.029 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -50.44 -51.88 42.84 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.232 178.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -60.45 -39.07 86.23 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.269 0.557 . . . . 0.0 110.978 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -63.24 -41.2 99.06 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.351 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.4 ' CD2' HG23 ' A' ' 111' ' ' VAL . 51.7 tp -64.57 -35.19 80.18 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 122.481 0.312 . . . . 0.0 111.774 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -58.79 -33.8 70.75 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.146 0.498 . . . . 0.0 110.391 -178.173 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -84.07 -45.75 12.71 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.643 -179.406 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -74.18 -34.34 63.74 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 120.778 0.323 . . . . 0.0 111.461 -176.386 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.516 ' O ' HG22 ' A' ' 116' ' ' THR . 7.3 tppt? 57.33 21.3 6.62 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.678 -176.424 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.8 t -66.58 119.14 11.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.93 -179.128 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.501 ' HD2' ' N ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -61.97 -42.22 98.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.003 178.935 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.501 ' N ' ' HD2' ' A' ' 49' ' ' LYS . 4.3 pt-20 -67.78 -37.05 81.54 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 178.797 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 51.8 tp -63.62 -42.3 98.2 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.603 -0.439 . . . . 0.0 109.857 175.184 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.459 ' O ' HG22 ' A' ' 56' ' ' ILE . 22.1 tt0 -57.36 -43.76 83.78 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.507 176.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -56.87 -48.6 77.74 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.63 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -64.07 -45.37 89.04 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.984 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 82.0 mt -63.04 -52.0 64.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.194 -177.344 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.459 HG22 ' O ' ' A' ' 52' ' ' GLN . 16.3 tt -68.81 -33.18 57.99 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 C-N-CA 120.462 -0.495 . . . . 0.0 111.338 -178.028 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.436 ' HD3' HG23 ' A' ' 56' ' ' ILE . 1.0 OUTLIER -69.22 -43.93 73.1 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.912 -0.131 . . . . 0.0 111.2 179.026 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -65.96 -33.68 76.37 Favored 'General case' 0 CA--C 1.517 -0.299 0 C-N-CA 119.986 -0.686 . . . . 0.0 110.154 177.331 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.414 HD13 ' O ' ' A' ' 59' ' ' LEU . 2.3 tm? -63.86 -46.23 85.92 Favored 'General case' 0 C--O 1.221 -0.431 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 177.399 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.55 ' HA ' ' SG ' ' A' ' 63' ' ' CYS . 22.9 t70 -57.73 -44.59 86.12 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.257 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 57' ' ' ARG . 50.6 t -61.03 -47.66 92.58 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.195 178.524 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.456 HG11 ' CD ' ' A' ' 32' ' ' GLN . 89.7 t -71.57 -44.02 70.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -178.303 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.55 ' SG ' ' HA ' ' A' ' 60' ' ' ASP . 26.1 p -63.7 -37.5 87.58 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 119.795 -0.762 . . . . 0.0 110.215 -179.24 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.81 -43.96 82.46 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.933 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.462 ' HG3' HD12 ' A' ' 66' ' ' ILE . 21.3 ptp -70.62 -38.86 73.99 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.405 -0.518 . . . . 0.0 110.198 -179.169 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.516 ' O ' ' HB2' ' A' ' 70' ' ' GLN . 1.5 mp -63.41 -42.95 98.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.837 178.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -69.98 -36.94 75.58 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 120.813 0.339 . . . . 0.0 111.312 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.73 -47.19 69.19 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.091 -178.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.33 -37.78 80.88 Favored 'General case' 0 C--O 1.217 -0.627 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.516 ' HB2' ' O ' ' A' ' 66' ' ' ILE . 0.1 OUTLIER -60.89 -42.39 97.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.165 0.507 . . . . 0.0 109.671 -179.757 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -68.8 -45.81 63.28 Favored Glycine 0 CA--C 1.524 0.597 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.789 -178.358 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.99 -35.05 71.95 Favored 'General case' 0 C--O 1.249 1.042 0 CA-C-O 121.362 0.601 . . . . 0.0 111.029 -176.609 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.424 HD11 ' HA ' ' A' ' 18' ' ' LEU . 27.4 tp -74.17 -48.84 26.52 Favored 'General case' 0 CA--C 1.502 -0.885 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.011 -174.395 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.489 ' HA ' ' HG ' ' A' ' 77' ' ' LEU . 0.6 OUTLIER -59.19 -39.05 81.35 Favored 'General case' 0 N--CA 1.437 -1.116 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.894 -179.116 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.437 ' HA ' ' NE ' ' A' ' 75' ' ' ARG . 0.5 OUTLIER -59.14 -39.67 83.1 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.322 178.954 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -68.9 -56.69 7.1 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.726 0.298 . . . . 0.0 110.902 177.499 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.489 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 4.0 pp -63.34 -20.21 65.31 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -177.126 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -68.17 -9.02 43.68 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 -177.236 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 . . . . . 0 CA--C 1.534 0.349 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -174.112 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.1 tt . . . . . 0 C--O 1.233 0.225 0 CA-C-O 120.589 0.233 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -56.87 -49.54 75.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.499 -178.096 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -60.4 -39.58 87.87 Favored 'General case' 0 C--O 1.226 -0.132 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.872 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -62.18 -41.47 98.36 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.523 178.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -64.94 -48.19 74.99 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.687 179.347 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.554 ' CD1' HD11 ' A' ' 19' ' ' ILE . 3.6 m-30 -54.82 -53.95 48.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.102 178.001 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -56.69 -47.14 80.57 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.565 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -65.22 -45.77 83.35 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.329 -178.481 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.23 -46.69 82.74 Favored 'General case' 0 C--N 1.341 0.229 0 CA-C-O 120.632 0.253 . . . . 0.0 111.015 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 -62.82 -37.98 88.93 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.529 178.08 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.506 ' O ' HG13 ' A' ' 99' ' ' ILE . 89.2 m -59.17 -51.35 70.38 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.574 178.615 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 98.3 mt -69.9 -36.77 75.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.936 -178.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 23.2 t -58.93 -50.58 73.52 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.552 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -63.58 -34.4 77.73 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.245 -179.407 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 95' ' ' THR . 74.5 mt -63.53 -42.85 97.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-O 121.069 0.461 . . . . 0.0 109.851 177.287 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.422 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 87.8 mt -63.86 -40.41 96.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.783 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 83.1 mt -60.77 -44.56 96.61 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.74 178.435 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -65.48 -33.99 77.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.222 179.308 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.419 ' O ' ' HB3' ' A' ' 106' ' ' GLU . 7.9 t70 -71.4 -42.09 68.8 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.368 -0.533 . . . . 0.0 109.891 179.602 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.436 HD23 HD23 ' A' ' 33' ' ' LEU . 96.3 mt -57.65 -44.87 85.97 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.851 0.358 . . . . 0.0 110.984 175.376 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.455 ' HA ' ' HG2' ' A' ' 108' ' ' GLU . 66.3 mttm -61.73 -30.61 70.89 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.046 0.451 . . . . 0.0 111.255 177.507 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.419 ' HB3' ' O ' ' A' ' 103' ' ' ASP . 17.8 tp10 -68.31 -43.07 78.43 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.829 177.384 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.45 HG21 ' CD1' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -69.96 -48.96 56.24 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.232 -179.082 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.455 ' HG2' ' HA ' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -53.98 -41.62 68.07 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.592 0.234 . . . . 0.0 111.23 177.716 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.555 ' O ' ' HG2' ' A' ' 112' ' ' LYS . 51.5 tt0 -63.08 -38.95 93.22 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-O 120.755 0.312 . . . . 0.0 110.919 177.317 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.469 ' O ' ' HB3' ' A' ' 113' ' ' ASP . 31.7 mttp -67.56 -45.9 74.27 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -179.114 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.4 HG23 ' CD2' ' A' ' 43' ' ' LEU . 7.6 p -64.34 -40.61 89.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.917 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.555 ' HG2' ' O ' ' A' ' 109' ' ' GLN . 10.7 ptmm? -73.27 -18.91 61.17 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.114 0.483 . . . . 0.0 110.348 177.494 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.469 ' HB3' ' O ' ' A' ' 110' ' ' LYS . 17.9 t70 -71.57 -32.72 68.39 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.778 178.464 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.476 HG22 HG23 ' A' ' 116' ' ' THR . 1.3 mp -72.93 123.69 28.25 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 CA-C-O 121.853 0.835 . . . . 0.0 111.04 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -80.3 119.31 22.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.784 -1.098 . . . . 0.0 109.565 178.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.516 HG22 ' O ' ' A' ' 47' ' ' LYS . 18.5 p -122.83 177.1 5.63 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 112.562 0.578 . . . . 0.0 112.562 -177.384 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 . . . . . 0 C--O 1.25 1.114 0 CA-C-N 115.155 -0.929 . . . . 0.0 111.089 179.754 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.429 HD12 ' N ' ' A' ' 18' ' ' LEU . 5.4 mp . . . . . 0 N--CA 1.452 -0.368 0 CA-C-O 120.892 0.377 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.59 HD11 ' CD1' ' A' ' 90' ' ' TYR . 20.2 mm -65.4 -32.81 59.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.198 176.678 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -60.57 -50.63 72.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.547 177.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -62.71 -31.12 71.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.873 179.301 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.87 -45.18 36.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.52 0.676 . . . . 0.0 110.011 -179.031 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -66.46 -34.71 78.53 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.666 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -70.04 -45.24 67.56 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.554 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.62 -47.61 85.46 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.3 pt -64.35 -35.72 75.03 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.351 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.137 -179.13 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -59.98 -50.32 74.21 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.422 0.63 . . . . 0.0 109.328 177.538 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -65.55 -47.61 75.25 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.836 -178.509 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.409 ' O ' ' HG3' ' A' ' 32' ' ' GLN . . . -60.71 -43.49 99.02 Favored Glycine 0 C--O 1.222 -0.595 0 CA-C-N 115.92 -0.582 . . . . 0.0 113.049 -179.256 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -63.33 -40.18 96.6 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.239 0.542 . . . . 0.0 110.478 -178.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.438 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 20.6 t-80 -66.22 -48.58 70.1 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.893 -178.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 5.3 pp0? -67.2 -28.53 68.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.265 179.136 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.622 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 1.9 tm? -69.15 -49.35 57.69 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 178.061 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 31' ' ' HIS . 4.6 pp -65.27 -30.3 71.16 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.512 -178.544 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 92.8 t80 -67.0 -47.67 70.78 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.98 177.022 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.457 HD13 ' O ' ' A' ' 36' ' ' LEU . 2.3 tm? -60.75 -35.52 76.6 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.423 -179.395 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.622 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 13.6 mm-40 -58.88 -32.64 69.67 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.011 0.434 . . . . 0.0 110.88 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -71.4 -33.24 69.3 Favored 'General case' 0 C--O 1.246 0.903 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.566 178.119 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -71.28 -42.13 69.13 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.529 178.564 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.9 tp -52.5 -45.12 66.07 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.574 174.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -57.13 -39.58 75.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.055 177.265 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -67.02 -42.06 85.56 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.741 176.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.6 tp -56.54 -40.15 74.6 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.954 178.053 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.485 ' O ' ' HE3' ' A' ' 47' ' ' LYS . 18.6 m-80 -58.52 -36.74 74.32 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.085 0.469 . . . . 0.0 110.804 177.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -82.02 -46.39 14.01 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.773 -178.092 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -76.53 -35.76 58.1 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 -176.503 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.485 ' HE3' ' O ' ' A' ' 44' ' ' ASN . 34.2 mmtp 58.7 22.74 10.3 Favored 'General case' 0 N--CA 1.483 1.222 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.517 -177.106 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.9 t -69.08 121.44 16.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.669 -178.218 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.686 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -60.92 -45.19 95.67 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.915 179.406 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.525 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 9.1 pt-20 -68.04 -30.99 70.34 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.668 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 59.1 tp -68.52 -45.04 73.3 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 177.1 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -57.32 -44.65 84.36 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.278 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.714 ' O ' ' HG2' ' A' ' 57' ' ' ARG . 35.2 tt0 -63.26 -47.7 81.3 Favored 'General case' 0 N--CA 1.429 -1.505 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.11 -178.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.525 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 44.3 mtmt -63.08 -42.47 99.64 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.56 -179.679 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.411 HG23 HD11 ' A' ' 36' ' ' LEU . 64.5 mt -58.08 -45.46 88.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.978 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 15.5 tt -71.76 -30.31 37.34 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.046 178.267 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.714 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 10.2 mmt180 -67.12 -52.74 37.96 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.892 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -69.41 -33.43 72.99 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.472 -178.511 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 51.3 tp -63.38 -43.52 97.37 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.117 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -63.45 -48.84 76.06 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.247 -178.584 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 31.5 m -63.67 -38.22 81.71 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 C-N-CA 120.614 -0.434 . . . . 0.0 111.692 -177.65 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 89.1 t -71.53 -37.25 63.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 177.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.501 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 50.8 t -62.98 -42.77 99.93 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 178.48 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.7 -49.81 64.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.665 -177.154 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.439 ' HG3' HD12 ' A' ' 66' ' ' ILE . 23.1 ptp -61.04 -38.0 84.62 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.509 -179.418 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.439 HD12 ' HG3' ' A' ' 65' ' ' MET . 1.4 mp -66.66 -41.64 88.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.993 178.396 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.501 ' HG3' ' O ' ' A' ' 63' ' ' CYS . 44.1 mt-10 -64.31 -37.01 85.97 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 121.16 0.505 . . . . 0.0 110.669 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.78 -46.59 73.57 Favored Glycine 0 N--CA 1.443 -0.877 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.469 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.45 -42.26 79.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.898 -0.151 . . . . 0.0 110.955 -178.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.447 ' HG2' ' HA ' ' A' ' 67' ' ' GLU . 18.0 pt20 -64.11 -39.73 94.67 Favored 'General case' 0 C--O 1.217 -0.638 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.58 -178.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.96 -43.24 91.77 Favored Glycine 0 C--O 1.243 0.673 0 C-N-CA 121.129 -0.558 . . . . 0.0 112.194 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.14 -51.8 54.48 Favored 'General case' 0 C--O 1.244 0.778 0 CA-C-O 121.369 0.604 . . . . 0.0 109.807 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.63 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 34.0 tp -58.86 -42.94 90.57 Favored 'General case' 0 C--O 1.219 -0.53 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.158 179.545 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.457 ' OE2' HD11 ' A' ' 77' ' ' LEU . 5.9 mm-40 -53.99 -52.29 61.19 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 120.812 0.339 . . . . 0.0 111.475 179.501 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 -58.74 -38.29 78.06 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -73.51 -56.12 5.45 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.331 -179.095 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.63 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 2.9 pp -61.67 -28.07 69.13 Favored 'General case' 0 C--O 1.214 -0.768 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -178.314 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.597 ' N ' HD12 ' A' ' 77' ' ' LEU . 11.2 mptt -64.75 -43.84 92.01 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 121.398 0.618 . . . . 0.0 110.694 -177.352 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 80.2 mtm180 . . . . . 0 C--N 1.324 -0.541 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.424 -179.679 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.8 tt . . . . . 0 C--O 1.236 0.349 0 N-CA-C 109.919 -0.401 . . . . 0.0 109.919 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.59 -39.5 73.64 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.015 178.565 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -57.71 -46.85 83.82 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.541 0.686 . . . . 0.0 110.266 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -61.93 -42.67 99.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.963 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -63.43 -43.54 97.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.95 178.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.59 ' CD1' HD11 ' A' ' 19' ' ' ILE . 3.4 m-85 -55.06 -55.53 30.02 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.919 175.65 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.02 -42.1 79.78 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.574 -179.389 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -65.57 -48.3 72.85 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.256 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.9 -40.81 90.05 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.144 0.497 . . . . 0.0 110.892 178.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -61.34 -43.26 99.18 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.566 178.076 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.442 ' O ' HG13 ' A' ' 99' ' ' ILE . 79.9 m -58.42 -47.15 84.87 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.182 177.536 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 92.7 mt -69.84 -42.1 74.06 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -177.216 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.3 p -60.77 -41.94 96.47 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.381 0.61 . . . . 0.0 111.01 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -59.48 -45.44 91.66 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.717 178.7 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 95' ' ' THR . 79.1 mt -60.36 -43.18 93.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.716 178.121 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.407 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 67.9 tp -59.65 -50.89 72.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.588 -179.546 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.438 ' O ' ' HG2' ' A' ' 105' ' ' LYS . 4.4 mm? -58.99 -44.06 91.53 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.656 -178.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -59.18 -47.03 86.82 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.709 178.042 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -59.42 -38.54 80.9 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 110.455 -0.202 . . . . 0.0 110.455 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.57 HD23 HD23 ' A' ' 33' ' ' LEU . 95.0 mt -63.44 -53.68 48.44 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.908 0.385 . . . . 0.0 110.771 179.162 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.485 ' O ' ' HB3' ' A' ' 108' ' ' GLU . 1.0 OUTLIER -62.62 -32.74 73.81 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.855 -178.063 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -65.55 -38.38 89.44 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 176.706 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.558 ' O ' HG23 ' A' ' 111' ' ' VAL . 57.1 m -63.13 -45.3 92.61 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.229 178.347 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.485 ' HB3' ' O ' ' A' ' 105' ' ' LYS . 18.7 tt0 -49.74 -51.98 34.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.525 175.569 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 105' ' ' LYS . 62.8 mt-30 -59.26 -39.29 82.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 178.589 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.466 ' O ' ' HB3' ' A' ' 113' ' ' ASP . 3.2 tppp? -68.56 -39.03 81.21 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.124 0.488 . . . . 0.0 111.688 -178.829 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 107' ' ' THR . 97.8 t -60.53 -43.3 94.13 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.395 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 177.097 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -71.87 -21.31 61.68 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.598 177.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.466 ' HB3' ' O ' ' A' ' 110' ' ' LYS . 23.3 t70 -68.5 -35.75 77.95 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.958 -179.182 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.453 HD11 ' OD1' ' A' ' 44' ' ' ASN . 1.7 mp -70.77 122.49 22.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.072 0.463 . . . . 0.0 110.454 178.73 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -78.91 122.75 26.51 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.742 177.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 65.9 p -115.96 -173.64 2.39 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.765 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.477 ' HB2' ' HD2' ' A' ' 49' ' ' LYS . 52.1 mt-30 . . . . . 0 C--O 1.241 0.611 0 CA-C-O 118.688 -0.672 . . . . 0.0 110.321 178.409 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.2 mp . . . . . 0 C--O 1.243 0.733 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.583 HD11 ' CD1' ' A' ' 90' ' ' TYR . 28.3 mm -67.8 -33.84 64.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.066 -179.502 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -61.3 -38.4 86.67 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 120.878 0.37 . . . . 0.0 110.454 178.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -71.27 -30.37 66.21 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 121.148 0.499 . . . . 0.0 111.01 179.539 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.61 -45.33 38.1 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 121.707 0.765 . . . . 0.0 109.469 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -62.76 -38.1 89.25 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-N 114.464 -1.243 . . . . 0.0 110.402 178.202 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -66.95 -44.37 80.73 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.436 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.29 -44.92 96.42 Favored 'General case' 0 C--N 1.334 -0.082 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.8 pt -67.86 -31.54 52.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.62 -178.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -67.44 -45.95 74.54 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 176.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -65.37 -44.83 86.36 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.269 -179.626 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.2 -40.93 94.49 Favored Glycine 0 C--O 1.221 -0.669 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.917 178.164 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -62.48 -40.47 96.79 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.276 0.56 . . . . 0.0 110.365 179.22 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.34 -51.16 64.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.107 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.33 -29.17 65.81 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.432 -178.326 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -68.05 -50.64 53.97 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 179.11 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 pp -66.7 -30.1 70.26 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.345 0.593 . . . . 0.0 110.137 -179.309 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -68.99 -56.93 6.29 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.504 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.3 tt -63.63 -33.6 75.97 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.745 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -59.98 -38.31 82.2 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 178.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -65.86 -43.94 86.91 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.483 176.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -56.94 -46.42 82.08 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.496 176.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -52.92 -46.13 67.94 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.831 177.353 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -58.31 -41.46 84.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.247 0.546 . . . . 0.0 109.908 178.074 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -66.16 -37.43 85.63 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.865 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.1 tp -65.5 -31.48 72.57 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-O 120.61 0.243 . . . . 0.0 110.491 179.144 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -59.1 -36.2 74.72 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 121.231 0.539 . . . . 0.0 110.6 178.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -89.73 -39.96 12.82 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.571 179.116 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.408 ' OD1' ' HB2' ' A' ' 48' ' ' SER . 6.4 t-20 -75.34 -36.41 61.04 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -174.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp 55.86 18.96 3.25 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 -178.591 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.408 ' HB2' ' OD1' ' A' ' 46' ' ' ASN . 26.5 t -69.38 126.13 28.82 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 179.145 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.568 ' HD3' ' HB2' ' A' ' 117' ' ' GLN . 12.5 pttt -59.68 -42.38 92.78 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.209 175.685 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -60.18 -46.34 90.03 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.651 178.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.9 tp -62.73 -39.42 94.03 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.183 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -60.17 -48.5 81.46 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.598 177.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.556 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 39.4 mm-40 -58.42 -47.86 82.55 Favored 'General case' 0 C--O 1.224 -0.245 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.709 -178.656 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -63.4 -41.13 98.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.049 -179.177 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 70.4 mt -64.04 -53.11 47.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.333 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 14.1 tt -66.29 -34.88 73.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.361 -178.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.556 ' HB2' ' O ' ' A' ' 53' ' ' GLU . 2.3 mpt_? -65.57 -44.81 85.55 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 120.63 0.252 . . . . 0.0 110.348 179.083 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -70.33 -37.48 74.71 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.683 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.7 tt -62.83 -41.87 99.5 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -59.89 -48.75 80.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.327 178.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 57' ' ' ARG . 78.6 t -60.52 -47.26 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-O 120.963 0.411 . . . . 0.0 110.91 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 86.0 t -64.6 -40.78 90.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.412 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 42.7 t -62.98 -42.69 99.91 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.84 -49.32 68.58 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 122.554 0.342 . . . . 0.0 111.528 -179.055 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.415 ' HG3' HD12 ' A' ' 66' ' ' ILE . 21.4 ptp -62.12 -36.07 80.64 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.511 -0.475 . . . . 0.0 110.24 -179.235 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.415 HD12 ' HG3' ' A' ' 65' ' ' MET . 1.4 mp -67.23 -42.87 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.659 177.518 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -62.69 -42.99 99.92 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.779 0.323 . . . . 0.0 110.957 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.02 -47.4 74.14 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.977 -0.63 . . . . 0.0 113.117 -178.335 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.94 -42.6 80.74 Favored 'General case' 0 N--CA 1.451 -0.423 0 O-C-N 123.092 -0.064 . . . . 0.0 110.978 -178.493 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -63.04 -38.95 93.22 Favored 'General case' 0 C--O 1.221 -0.399 0 C-N-CA 120.524 -0.471 . . . . 0.0 110.695 -178.616 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -70.17 -45.27 56.78 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.402 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.98 -54.91 20.2 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-O 120.939 0.399 . . . . 0.0 110.633 -177.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.658 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 47.9 tp -54.89 -45.42 74.68 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.453 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.671 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 6.5 mm-40 -55.12 -53.66 53.13 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-O 120.654 0.264 . . . . 0.0 111.593 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 75' ' ' ARG . 55.7 mtt180 -57.45 -42.2 82.04 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -177.526 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -73.1 -52.15 15.36 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.84 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.658 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 2.9 pp -59.03 -21.79 59.66 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -179.562 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.671 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 59.2 mmtt -66.53 -15.84 63.69 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 120.687 0.28 . . . . 0.0 111.389 -178.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? . . . . . 0 C--O 1.234 0.241 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.254 179.373 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 54.8 tp . . . . . 0 N--CA 1.452 -0.367 0 CA-C-O 120.513 0.197 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -57.02 -44.19 82.6 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.646 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -61.01 -42.52 98.62 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.183 0.516 . . . . 0.0 110.286 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -62.45 -50.1 72.82 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.781 178.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -60.78 -51.72 68.11 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.029 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.583 ' CD1' HD11 ' A' ' 19' ' ' ILE . 3.3 m-30 -55.19 -53.28 58.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.645 -179.587 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -56.29 -46.69 79.67 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.135 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -67.28 -38.01 84.37 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.425 -177.374 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.79 -48.9 75.02 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 121.193 0.521 . . . . 0.0 109.853 178.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.419 ' HG3' ' HZ2' ' A' ' 98' ' ' LYS . 6.3 tp-100 -59.91 -38.45 82.36 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.111 178.358 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.481 ' O ' HG13 ' A' ' 99' ' ' ILE . 99.3 m -61.89 -49.05 77.74 Favored 'General case' 0 C--O 1.245 0.85 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.101 177.426 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 89.7 mt -70.03 -35.47 74.33 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.726 0.298 . . . . 0.0 110.71 -178.051 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.419 ' O ' HD23 ' A' ' 101' ' ' LEU . 22.9 t -57.73 -47.43 82.44 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.195 179.092 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.591 ' O ' ' HG3' ' A' ' 102' ' ' LYS . 51.1 mttp -64.11 -34.62 78.47 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.071 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 95' ' ' THR . 84.5 mt -63.41 -45.62 97.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-O 121.06 0.457 . . . . 0.0 110.257 179.265 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -60.52 -46.01 91.72 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.449 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 97' ' ' SER . 4.3 mm? -61.14 -41.68 97.18 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.674 -179.764 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.591 ' HG3' ' O ' ' A' ' 98' ' ' LYS . 9.3 mtmp? -61.04 -46.28 91.34 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.699 -0.401 . . . . 0.0 110.322 178.4 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.408 ' O ' ' HB3' ' A' ' 106' ' ' GLU . 1.4 m-20 -62.45 -36.49 82.6 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.776 178.318 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 37.3 tp -64.54 -46.68 81.8 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 121.228 0.537 . . . . 0.0 110.413 178.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -61.86 -26.27 68.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 177.376 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.557 ' O ' ' HG2' ' A' ' 110' ' ' LYS . 10.0 tp10 -66.7 -42.72 85.99 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 175.766 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 8.2 p -68.37 -40.63 81.36 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.582 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -52.33 -47.41 66.04 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.338 0.59 . . . . 0.0 110.552 174.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.44 ' HA ' ' HE3' ' A' ' 112' ' ' LYS . 29.9 tt0 -61.35 -40.07 92.93 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.931 178.446 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.557 ' HG2' ' O ' ' A' ' 106' ' ' GLU . 74.9 mmtt -64.54 -48.78 73.8 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.966 0.413 . . . . 0.0 111.898 -179.062 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.6 p -62.52 -40.82 89.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.276 -178.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.44 ' HE3' ' HA ' ' A' ' 109' ' ' GLN . 16.4 pttp -73.56 -15.22 61.29 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 120.971 0.415 . . . . 0.0 110.93 177.658 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -79.88 -31.22 40.31 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.815 179.412 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.7 mp -74.49 115.37 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-O 121.131 0.491 . . . . 0.0 110.658 178.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -73.91 123.88 25.1 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.61 177.181 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 24.9 p -114.65 -173.65 2.34 Favored 'General case' 0 C--N 1.305 -1.348 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.208 178.655 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.568 ' HB2' ' HD3' ' A' ' 49' ' ' LYS . 76.5 mt-30 . . . . . 0 C--O 1.244 0.811 0 CA-C-O 118.384 -0.817 . . . . 0.0 110.417 -178.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 . . . . . 0 N--CA 1.475 0.804 0 CA-C-O 120.93 0.395 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -119.2 121.4 39.61 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.386 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -86.54 102.8 14.45 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.061 -178.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -63.47 144.42 97.67 Favored Pre-proline 0 C--N 1.318 -0.786 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.837 175.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -77.77 -158.14 0.08 OUTLIER 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 122.998 2.465 . . . . 0.0 113.012 -178.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -87.01 109.63 19.52 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -55.79 -37.91 69.23 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -176.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -104.47 109.78 21.79 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 120.742 0.305 . . . . 0.0 110.577 -178.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -74.33 -38.46 63.26 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.101 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -86.06 50.42 1.98 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.78 0.8 . . . . 0.0 110.019 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -103.82 134.52 46.98 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -82.96 156.37 23.5 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.995 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.687 ' OE1' ' HA ' ' A' ' 16' ' ' HIS . 27.1 tt0 -62.19 128.43 36.05 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.095 179.453 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -87.01 -53.11 5.06 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.579 0.228 . . . . 0.0 111.336 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -63.33 -57.27 10.91 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.169 -178.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.687 ' HA ' ' OE1' ' A' ' 13' ' ' GLU . 13.0 t60 57.09 40.85 28.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.658 178.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.517 HD23 ' N ' ' A' ' 18' ' ' LEU . 8.8 tt -100.75 151.23 21.93 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 107.745 -1.205 . . . . 0.0 107.745 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.517 ' N ' HD23 ' A' ' 17' ' ' LEU . 86.2 mt -42.9 -62.73 0.94 Allowed 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -178.317 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.585 HD11 ' CD1' ' A' ' 90' ' ' TYR . 35.3 mm -69.54 -29.32 41.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.551 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.679 ' HA ' ' ND2' ' A' ' 23' ' ' ASN . 11.2 mm-40 -65.57 -40.42 92.74 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.083 178.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.87 -48.59 76.08 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 178.122 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.409 ' O ' HG12 ' A' ' 26' ' ' ILE . . . -53.34 -48.77 68.22 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.539 178.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.679 ' ND2' ' HA ' ' A' ' 20' ' ' GLU . 10.9 p30 -71.98 -26.01 62.08 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 120.002 -0.679 . . . . 0.0 110.785 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -70.76 -51.6 26.12 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.837 178.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.23 -46.59 88.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.202 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.425 HG12 ' HA ' ' A' ' 23' ' ' ASN . 34.4 pt -66.33 -33.09 61.21 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.457 0 C-N-CA 120.416 -0.514 . . . . 0.0 111.756 -178.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -63.05 -44.48 95.74 Favored 'General case' 0 C--O 1.24 0.59 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 176.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -66.99 -46.02 75.85 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.379 178.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.56 -44.3 97.92 Favored Glycine 0 C--O 1.219 -0.829 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.731 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -58.87 -45.99 88.88 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.183 0.516 . . . . 0.0 110.506 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 -64.52 -42.78 95.56 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.381 -178.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.64 -33.43 62.55 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.096 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.465 HD23 HD23 ' A' ' 104' ' ' LEU . 2.3 tm? -64.67 -49.24 71.74 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 178.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 pp -65.88 -31.38 72.29 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.152 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -65.67 -55.61 16.55 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.501 179.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' A' ' 36' ' ' LEU . 3.3 mm? -66.38 -32.43 73.81 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.373 -178.491 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -64.96 -39.75 93.96 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 120.986 0.422 . . . . 0.0 110.376 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 28.2 m80 -66.66 -31.46 72.15 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 121.668 0.747 . . . . 0.0 109.389 174.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -70.15 -36.04 74.47 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.94 177.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.442 HD13 ' O ' ' A' ' 40' ' ' LEU . 1.4 tm? -53.25 -45.83 68.93 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 173.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -59.42 -41.2 88.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.238 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -68.6 -45.67 71.33 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.498 0.666 . . . . 0.0 110.02 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.427 HD22 HD12 ' A' ' 55' ' ' ILE . 52.9 tp -57.14 -40.55 77.42 Favored 'General case' 0 C--O 1.213 -0.822 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.886 177.081 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.537 ' O ' ' HE2' ' A' ' 47' ' ' LYS . 0.2 OUTLIER -61.63 -28.15 69.17 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-O 121.431 0.634 . . . . 0.0 110.418 -179.212 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -82.76 -45.19 14.69 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.911 177.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -75.68 -33.68 60.4 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.989 -0.55 . . . . 0.0 112.03 -176.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.537 ' HE2' ' O ' ' A' ' 44' ' ' ASN . 72.8 mmtt 57.13 19.57 4.89 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.211 -176.508 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 41.5 t -68.48 126.71 30.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.896 -176.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.61 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -63.53 -44.81 93.14 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.795 179.142 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -66.93 -36.78 83.0 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 121.057 -0.257 . . . . 0.0 111.087 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 50.8 tp -67.55 -39.45 84.98 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -59.04 -44.74 91.81 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.994 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -63.72 -45.55 89.44 Favored 'General case' 0 N--CA 1.432 -1.343 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.617 -178.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -61.74 -46.88 87.71 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.956 0.408 . . . . 0.0 110.342 178.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.427 HD12 HD22 ' A' ' 43' ' ' LEU . 68.4 mt -60.24 -49.11 85.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.714 -178.507 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 14.9 tt -68.31 -31.92 53.48 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.971 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -68.57 -44.66 73.95 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.297 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -71.1 -33.61 70.34 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.349 178.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.2 tt -63.17 -47.06 84.25 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 177.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -59.57 -53.53 57.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.785 -1.098 . . . . 0.0 112.469 -178.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 32.7 m -62.22 -39.44 84.03 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -176.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 84.1 t -73.79 -37.5 48.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.724 0.297 . . . . 0.0 110.485 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 46.1 t -62.61 -41.27 98.9 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.177 0.513 . . . . 0.0 109.785 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.29 -50.48 63.54 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.908 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.406 ' HG3' HD12 ' A' ' 66' ' ' ILE . 23.1 ptp -62.72 -39.06 92.87 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.588 -178.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.431 ' O ' ' HB2' ' A' ' 70' ' ' GLN . 1.4 mp -64.44 -43.0 96.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.23 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -69.4 -37.65 77.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.838 0.351 . . . . 0.0 111.513 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.32 -45.91 88.87 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.644 -0.789 . . . . 0.0 111.902 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.39 -37.13 74.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.571 -0.315 . . . . 0.0 110.194 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.47 ' OE1' ' HB2' ' A' ' 97' ' ' SER . 4.0 tt0 -63.09 -47.72 81.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.98 0.419 . . . . 0.0 110.214 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.34 -39.16 97.49 Favored Glycine 0 C--O 1.245 0.838 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.541 -177.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.51 -53.16 38.0 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 114.825 -0.687 . . . . 0.0 109.372 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.516 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 43.9 tp -55.55 -49.62 72.21 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.716 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.476 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 49.6 mt-10 -54.33 -50.22 67.9 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.063 0.458 . . . . 0.0 111.098 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -58.49 -43.4 89.01 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.707 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -70.02 -54.6 12.45 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.854 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 3.6 pp -56.0 -20.25 15.82 Favored 'General case' 0 C--O 1.222 -0.376 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.008 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 28.6 mmtm -67.72 -14.31 62.84 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -71.61 -16.26 62.28 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.101 0.477 . . . . 0.0 110.311 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.3 m -84.48 141.26 30.9 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.924 179.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -157.73 -174.65 4.96 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.16 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 51.48 73.12 0.33 Allowed 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.054 0.846 . . . . 0.0 111.405 -178.159 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 178.56 105.13 0.02 OUTLIER 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.005 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 68.8 mt -58.22 -31.99 43.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.734 -0.667 . . . . 0.0 112.009 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 59.8 tp -72.66 -50.03 27.71 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 120.892 0.377 . . . . 0.0 110.036 -178.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -59.58 -37.11 77.63 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.472 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -56.95 -51.7 68.13 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.117 0.484 . . . . 0.0 110.168 176.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -59.38 -45.64 90.88 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.476 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -65.08 -47.31 77.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.382 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.585 ' CD1' HD11 ' A' ' 19' ' ' ILE . 4.4 m-30 -54.88 -52.72 61.97 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.041 0.448 . . . . 0.0 111.021 177.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -57.71 -36.95 72.69 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.175 178.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -69.64 -40.98 76.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.677 -179.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.99 -42.25 97.25 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.655 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -61.18 -38.16 85.52 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.841 177.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.461 ' O ' HG13 ' A' ' 99' ' ' ILE . 93.2 m -61.89 -50.54 71.81 Favored 'General case' 0 N--CA 1.436 -1.155 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.423 178.001 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 89.2 mt -71.78 -37.84 70.4 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.712 -176.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.47 ' HB2' ' OE1' ' A' ' 70' ' ' GLN . 16.3 p -61.91 -44.19 97.3 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 121.053 0.454 . . . . 0.0 110.715 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -59.67 -42.49 92.99 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.358 178.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 95' ' ' THR . 82.2 mt -62.26 -45.12 99.49 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 CA-C-O 121.343 0.592 . . . . 0.0 110.243 178.473 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.417 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 0.8 OUTLIER -58.81 -51.02 71.79 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.454 179.65 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 92.1 mt -59.61 -40.96 89.26 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.57 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -55.86 -52.71 63.11 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 176.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.3 -33.61 72.61 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 112.308 0.485 . . . . 0.0 112.308 -178.126 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.465 HD23 HD23 ' A' ' 33' ' ' LEU . 91.7 mt -61.51 -55.11 34.67 Favored 'General case' 0 CA--C 1.519 -0.238 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.399 177.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.459 ' O ' ' HB3' ' A' ' 108' ' ' GLU . 25.6 mtpp -68.56 -22.27 64.49 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.678 -178.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -71.38 -43.98 65.83 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 177.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 22.9 m -67.55 -39.38 84.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.185 -0.916 . . . . 0.0 108.573 176.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.459 ' HB3' ' O ' ' A' ' 105' ' ' LYS . 25.3 tt0 -51.47 -50.65 59.4 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.694 173.322 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.551 ' HA ' ' HD3' ' A' ' 112' ' ' LYS . 41.5 tt0 -54.06 -39.84 66.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.368 177.27 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.437 ' HB3' HD11 ' A' ' 40' ' ' LEU . 13.7 mptt -68.51 -48.4 64.48 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 13.9 p -62.82 -40.49 88.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.961 -178.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.551 ' HD3' ' HA ' ' A' ' 109' ' ' GLN . 14.5 ptmm? -70.99 -23.08 62.12 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.549 177.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -79.99 -25.77 40.17 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -178.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -73.54 122.8 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 178.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -79.48 123.35 27.47 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.305 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 64.6 p -116.04 178.28 4.37 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.273 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.652 -178.447 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.473 0.703 0 CA-C-O 120.687 0.279 . . . . 0.0 110.367 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -127.84 118.02 22.91 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-O 120.862 0.363 . . . . 0.0 110.964 -178.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -125.18 30.66 5.78 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.311 0.577 . . . . 0.0 109.847 178.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -86.85 139.9 33.04 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.35 -176.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -68.95 -29.09 28.39 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.522 2.148 . . . . 0.0 109.864 173.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.409 ' HE3' ' HB2' ' A' ' 6' ' ' LYS . 39.3 mtmt -106.78 136.63 46.28 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 177.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -62.92 -53.43 54.21 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 120.787 0.327 . . . . 0.0 110.435 -178.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.54 137.85 32.3 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-O 121.063 0.459 . . . . 0.0 110.454 179.099 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -101.15 18.69 19.17 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-O 121.337 0.589 . . . . 0.0 109.828 176.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -86.66 -30.4 21.77 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.997 -177.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.1 ttt180 -71.18 92.41 0.99 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -124.84 7.37 8.08 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.287 0.565 . . . . 0.0 110.605 -178.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -105.16 147.8 27.58 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.84 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -69.52 83.22 0.41 Allowed 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 121.358 0.599 . . . . 0.0 110.05 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -72.8 -37.14 67.64 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.17 -0.923 . . . . 0.0 112.602 -177.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.403 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 22.0 t60 -85.81 80.25 9.0 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 119.843 -0.743 . . . . 0.0 112.188 -177.113 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.46 HD23 ' HB2' ' A' ' 20' ' ' GLU . 20.2 tp 177.13 98.01 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.187 0.995 . . . . 0.0 108.732 173.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.503 HD13 ' HA ' ' A' ' 77' ' ' LEU . 69.4 mt -49.62 -48.76 48.88 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.194 -0.912 . . . . 0.0 112.688 -176.204 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.572 HD11 ' CD1' ' A' ' 90' ' ' TYR . 24.1 mm -64.05 -37.08 78.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 C-N-CA 121.071 -0.252 . . . . 0.0 111.305 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.46 ' HB2' HD23 ' A' ' 17' ' ' LEU . 12.1 tp10 -61.2 -46.12 91.76 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.071 0.463 . . . . 0.0 109.807 178.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -62.66 -31.39 72.26 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.356 178.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.79 -39.78 56.3 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.398 0.618 . . . . 0.0 110.187 178.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -65.14 -38.11 89.57 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 115.023 -0.989 . . . . 0.0 110.164 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -64.25 -48.34 76.16 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.052 177.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.85 -50.47 73.65 Favored 'General case' 0 CA--C 1.528 0.097 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 179.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 41.4 pt -64.77 -31.29 53.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.339 -178.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -62.98 -51.74 65.69 Favored 'General case' 0 C--O 1.246 0.897 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 176.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -61.69 -46.05 91.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.03 178.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.469 ' O ' ' HG3' ' A' ' 32' ' ' GLN . . . -59.36 -42.17 97.31 Favored Glycine 0 N--CA 1.447 -0.604 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.714 -179.704 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.515 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 11.4 tp10 -56.88 -55.88 28.77 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 123.263 0.625 . . . . 0.0 111.038 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -62.9 -41.93 99.61 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.035 -176.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.469 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 5.1 pp0? -69.99 -31.46 69.16 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 116.715 -0.22 . . . . 0.0 111.034 -178.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.532 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 1.4 tm? -67.27 -45.12 77.58 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.383 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 30' ' ' GLU . 62.0 mt -63.02 -31.44 72.58 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 178.684 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -64.78 -52.15 58.43 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.562 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.7 mt -61.74 -33.31 73.83 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.528 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.532 ' HG3' ' O ' ' A' ' 33' ' ' LEU . 91.7 mt-30 -58.39 -39.5 79.83 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.042 0.449 . . . . 0.0 110.191 178.132 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 48.4 m80 -67.33 -36.89 82.37 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.743 178.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -66.46 -42.76 87.08 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.148 178.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.422 HD23 HG22 ' A' ' 111' ' ' VAL . 2.8 tm? -50.92 -46.73 60.86 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.487 175.583 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -58.09 -45.33 87.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.864 178.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -64.73 -42.15 95.43 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 121.33 0.586 . . . . 0.0 110.19 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.409 ' CD2' HG13 ' A' ' 111' ' ' VAL . 49.5 tp -55.58 -37.58 68.27 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.909 178.075 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -59.54 -38.22 80.47 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.701 0.286 . . . . 0.0 111.451 177.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -81.15 -47.78 13.01 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -179.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -77.13 -34.3 56.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.759 0.314 . . . . 0.0 111.352 -175.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.44 ' O ' HG22 ' A' ' 116' ' ' THR . 0.0 OUTLIER 58.81 24.6 12.54 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.214 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.1 t -69.85 123.33 21.19 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.188 -177.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.545 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -60.18 -39.95 88.3 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 121.086 0.469 . . . . 0.0 110.399 176.421 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -63.98 -44.2 93.43 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.199 179.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.465 ' O ' HG13 ' A' ' 55' ' ' ILE . 54.8 tp -63.25 -42.3 99.17 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.181 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -56.87 -49.14 76.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.82 -42.38 99.7 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.72 -178.354 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.453 ' HA ' ' HE2' ' A' ' 54' ' ' LYS . 6.9 mmpt? -62.99 -44.02 97.19 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.964 0.411 . . . . 0.0 110.123 178.081 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 51' ' ' LEU . 83.8 mt -61.14 -48.94 86.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.595 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 75.1 mt -62.93 -40.65 89.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.454 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -68.32 -41.53 80.7 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -177.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.448 ' HA ' HG12 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -73.86 -34.55 64.54 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.189 -0.605 . . . . 0.0 110.87 178.107 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.44 HD22 ' HB3' ' A' ' 108' ' ' GLU . 5.6 tt -61.93 -44.88 95.86 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 178.328 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -62.18 -48.39 80.24 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.337 -0.847 . . . . 0.0 112.164 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.448 HG12 ' HA ' ' A' ' 58' ' ' GLU . 11.5 p -62.36 -36.06 72.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 CA-C-O 120.836 0.35 . . . . 0.0 111.372 -176.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.412 HG11 ' CD ' ' A' ' 32' ' ' GLN . 98.8 t -73.24 -38.51 54.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.14 178.304 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.44 ' SG ' HD23 ' A' ' 59' ' ' LEU . 90.1 m -62.78 -41.27 99.17 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-O 120.842 0.353 . . . . 0.0 110.359 179.069 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.96 -45.06 83.15 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.345 -178.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.436 ' HG3' HD12 ' A' ' 66' ' ' ILE . 21.8 ptp -68.52 -35.1 77.0 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.351 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.436 HD12 ' HG3' ' A' ' 65' ' ' MET . 1.4 mp -69.3 -45.34 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 178.339 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.487 ' HA ' ' HG2' ' A' ' 70' ' ' GLN . 47.0 mt-10 -66.17 -35.15 79.72 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 121.077 0.465 . . . . 0.0 110.618 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -69.04 -45.87 60.99 Favored Glycine 0 N--CA 1.446 -0.642 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.513 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.1 -42.03 73.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.993 -0.103 . . . . 0.0 110.985 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.487 ' HG2' ' HA ' ' A' ' 67' ' ' GLU . 13.5 pt20 -62.99 -38.91 93.07 Favored 'General case' 0 C--O 1.216 -0.679 0 C-N-CA 120.467 -0.493 . . . . 0.0 109.843 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -64.5 -40.75 97.92 Favored Glycine 0 C--N 1.336 0.531 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.65 -52.35 52.37 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 179.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.595 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 61.2 mt -54.81 -51.35 66.1 Favored 'General case' 0 CA--C 1.504 -0.807 0 CA-C-N 115.149 -0.932 . . . . 0.0 112.031 178.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 44.0 mt-10 -53.72 -52.36 60.36 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 123.426 0.454 . . . . 0.0 111.482 -176.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 60.7 mtt85 -59.18 -39.94 84.11 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.123 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -70.83 -55.42 8.56 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 3.8 pp -57.7 -21.13 38.77 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -179.179 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.428 ' HA ' ' HD3' ' A' ' 78' ' ' LYS . 51.9 mmtt -68.21 -15.37 63.55 Favored 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 179.082 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 21.8 mmt85 -76.1 -19.6 58.41 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.542 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.1 m -78.74 139.22 38.47 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.749 -178.042 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -55.77 138.41 47.89 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 176.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.451 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 0.7 OUTLIER -74.87 72.88 2.1 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 122.151 0.977 . . . . 0.0 111.834 -179.218 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -73.77 169.02 18.22 Favored 'General case' 0 N--CA 1.432 -1.365 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.339 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 58.4 mt -54.54 -55.35 15.64 Favored 'Isoleucine or valine' 0 C--O 1.242 0.674 0 CA-C-O 120.8 0.334 . . . . 0.0 111.345 -177.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.8 tt -71.83 -43.48 65.48 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 -178.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -54.02 -55.88 23.12 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.211 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -58.74 -46.96 86.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.849 0.357 . . . . 0.0 111.412 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -61.73 -44.31 97.17 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.53 -178.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -68.7 -48.16 64.57 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.714 -178.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.572 ' CD1' HD11 ' A' ' 19' ' ' ILE . 4.2 m-30 -54.13 -53.82 47.98 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.739 178.51 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -57.58 -35.98 71.09 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.515 178.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -71.5 -46.45 59.69 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.476 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.24 -41.0 99.02 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.206 0.527 . . . . 0.0 109.664 -179.133 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -63.67 -38.53 91.46 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.933 178.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.584 ' O ' HD13 ' A' ' 99' ' ' ILE . 54.6 m -59.7 -47.49 85.42 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.342 176.13 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.472 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 84.9 mt -67.96 -40.67 83.15 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.568 -178.04 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 60.4 p -59.67 -48.7 80.62 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 120.75 0.309 . . . . 0.0 111.318 -178.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.437 ' O ' ' HG3' ' A' ' 102' ' ' LYS . 99.7 mttt -61.94 -38.16 87.42 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.062 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.584 HD13 ' O ' ' A' ' 95' ' ' THR . 1.6 mp -63.24 -41.59 93.35 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-O 120.828 0.346 . . . . 0.0 110.162 177.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 96' ' ' LEU . 96.6 mt -60.66 -49.52 77.2 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.554 178.169 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.446 ' O ' ' HD2' ' A' ' 105' ' ' LYS . 4.3 mm? -57.4 -43.11 83.45 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.128 179.145 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 98' ' ' LYS . 49.3 mtmt -59.67 -43.32 94.03 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 121.166 -0.213 . . . . 0.0 110.946 177.775 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -68.61 -35.74 77.73 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.379 -0.528 . . . . 0.0 110.913 -178.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.471 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 4.2 mm? -63.48 -46.31 86.73 Favored 'General case' 0 C--N 1.345 0.4 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.005 175.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.446 ' HD2' ' O ' ' A' ' 101' ' ' LEU . 0.3 OUTLIER -57.32 -35.48 69.92 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.774 177.038 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 110' ' ' LYS . 33.1 tt0 -70.62 -43.78 68.58 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.766 178.68 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.502 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.7 OUTLIER -63.7 -53.95 43.16 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 121.053 -0.259 . . . . 0.0 111.422 -178.703 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.634 ' O ' ' HG2' ' A' ' 112' ' ' LYS . 9.3 pt-20 -51.52 -48.64 62.89 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 123.096 0.248 . . . . 0.0 110.93 178.311 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.406 ' N ' ' HG3' ' A' ' 108' ' ' GLU . 34.1 tt0 -56.21 -44.63 79.69 Favored 'General case' 0 C--O 1.223 -0.331 0 C-N-CA 123.162 0.585 . . . . 0.0 111.336 178.176 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 106' ' ' GLU . 52.9 mtmt -66.42 -40.89 89.81 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-O 121.239 0.543 . . . . 0.0 111.086 178.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 107' ' ' THR . 78.5 t -58.49 -50.55 78.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.357 177.483 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.634 ' HG2' ' O ' ' A' ' 108' ' ' GLU . 14.3 ptmt -74.61 -13.91 60.71 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.274 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -73.59 -29.37 62.36 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.983 177.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.4 mp -71.06 121.0 20.04 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 176.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -75.76 125.15 28.52 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.003 0.43 . . . . 0.0 110.628 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.457 ' HB ' ' HB3' ' A' ' 49' ' ' LYS . 25.2 p -117.25 -173.73 2.47 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.871 178.633 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.447 ' OXT' ' HD2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.796 0 CA-C-O 118.612 -0.709 . . . . 0.0 110.338 -178.699 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.472 0.661 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.478 ' HB3' ' O ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -96.7 154.07 17.5 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 177.805 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.564 ' CD2' ' HG3' ' A' ' 4' ' ' LYS . 28.4 p-80 -71.44 -42.05 68.69 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 178.138 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.564 ' HG3' ' CD2' ' A' ' 3' ' ' HIS . 47.7 mtpt -103.65 156.77 35.11 Favored Pre-proline 0 C--N 1.315 -0.907 0 CA-C-N 115.773 -0.648 . . . . 0.0 109.718 176.061 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.58 52.79 0.96 Allowed 'Trans proline' 0 CA--C 1.541 0.856 0 C-N-CA 122.747 2.298 . . . . 0.0 112.881 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt 61.99 -173.65 0.14 Allowed 'General case' 0 C--O 1.235 0.335 0 C-N-CA 122.95 0.5 . . . . 0.0 111.307 -176.052 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.473 ' HE3' ' OD1' ' A' ' 23' ' ' ASN . 58.9 tttm -72.25 -59.63 2.64 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.957 0.408 . . . . 0.0 110.629 179.069 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -169.79 -126.73 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -111.9 -7.21 14.18 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -136.35 150.84 49.03 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.179 -176.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.2 tpp180 59.96 59.99 2.27 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.854 0.721 . . . . 0.0 110.639 -178.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -163.86 102.54 0.89 Allowed 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 178.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.449 ' HG3' ' CD2' ' A' ' 14' ' ' PHE . 13.8 pt-20 -118.93 -28.88 5.44 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -174.499 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.449 ' CD2' ' HG3' ' A' ' 13' ' ' GLU . 93.4 m-85 -117.56 -155.37 0.59 Allowed 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 176.405 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -64.05 -54.19 37.99 Favored 'General case' 0 CA--C 1.501 -0.921 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 174.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.713 ' HA ' ' OE1' ' A' ' 20' ' ' GLU . 2.0 m-70 -177.14 129.35 0.16 Allowed 'General case' 0 CA--C 1.509 -0.619 0 C-N-CA 124.776 1.23 . . . . 0.0 109.782 175.658 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 98.3 mt -104.14 171.45 7.34 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 176.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.525 ' H ' HD22 ' A' ' 18' ' ' LEU . 2.3 mm? -62.59 -45.48 92.7 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.311 0.577 . . . . 0.0 109.632 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.589 HD11 ' HD1' ' A' ' 90' ' ' TYR . 20.3 mm -67.59 -34.97 71.48 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.563 179.284 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.713 ' OE1' ' HA ' ' A' ' 16' ' ' HIS . 87.0 mt-10 -57.34 -41.97 81.07 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.915 0.388 . . . . 0.0 110.447 177.679 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -67.2 -52.75 37.36 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.182 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.433 ' O ' HG12 ' A' ' 26' ' ' ILE . . . -56.62 -47.9 78.67 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.525 178.512 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.473 ' OD1' ' HE3' ' A' ' 7' ' ' LYS . 23.7 t-20 -56.93 -42.29 79.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.563 -179.278 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -71.21 -40.19 71.28 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.953 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.22 -45.51 80.44 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.433 HG12 ' O ' ' A' ' 22' ' ' ALA . 34.5 pt -66.93 -33.93 66.62 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.157 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.764 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -63.83 -45.67 88.52 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 176.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -66.36 -42.23 88.36 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.691 178.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.466 ' O ' ' HG3' ' A' ' 32' ' ' GLN . . . -60.62 -45.37 96.47 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 116.221 -0.445 . . . . 0.0 112.19 178.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.487 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 45.8 tt0 -57.11 -47.99 79.74 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.09 0.471 . . . . 0.0 110.674 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -66.47 -40.74 89.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.655 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -71.93 -28.14 63.27 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.941 -179.659 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -67.03 -42.91 84.08 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 175.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 30' ' ' GLU . 89.2 mt -65.06 -31.12 72.18 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.412 178.097 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -69.58 -55.24 10.68 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.786 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.457 HD13 ' OE1' ' A' ' 39' ' ' GLN . 3.8 mm? -59.94 -34.92 73.9 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.036 0.446 . . . . 0.0 110.803 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -59.78 -34.39 72.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.982 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -69.34 -43.3 73.93 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.107 177.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.457 ' OE1' HD13 ' A' ' 36' ' ' LEU . 90.9 mt-30 -58.01 -45.0 87.56 Favored 'General case' 0 CA--C 1.522 -0.102 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.854 177.146 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.7 tp -52.36 -49.02 65.19 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.072 176.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -58.14 -38.8 77.27 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 121.299 0.571 . . . . 0.0 110.476 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.43 ' HB3' ' O ' ' A' ' 39' ' ' GLN . 9.1 tp10 -64.15 -44.16 92.98 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.471 179.096 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.8 tp -63.83 -34.03 77.01 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.928 -177.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.448 ' O ' ' HE3' ' A' ' 47' ' ' LYS . 72.9 m-20 -58.89 -33.76 70.88 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.123 0.487 . . . . 0.0 110.89 -178.149 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -86.26 -44.03 12.47 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.772 -178.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.45 ' HB3' ' OG ' ' A' ' 48' ' ' SER . 78.9 m-20 -78.39 -35.89 46.6 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -175.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.448 ' HE3' ' O ' ' A' ' 44' ' ' ASN . 34.0 mmtp 58.79 19.05 6.56 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.162 -176.42 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.45 ' OG ' ' HB3' ' A' ' 46' ' ' ASN . 15.8 m -64.91 118.82 9.61 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.651 -177.51 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.7 pttt -58.17 -47.52 83.12 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.606 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -63.49 -37.1 86.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.959 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.493 ' O ' HG13 ' A' ' 55' ' ' ILE . 55.2 tp -66.08 -43.38 87.52 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 177.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -58.11 -47.25 83.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.914 178.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.457 ' O ' ' HD3' ' A' ' 57' ' ' ARG . 40.6 mt-10 -62.53 -43.8 97.93 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.491 -179.227 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -59.82 -46.47 89.15 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.837 0.351 . . . . 0.0 110.461 177.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' ' 51' ' ' LEU . 82.5 mt -59.31 -53.24 50.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.157 -179.048 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.4 tp -70.38 -34.07 56.6 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.857 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -177.051 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.457 ' HD3' ' O ' ' A' ' 53' ' ' GLU . 7.2 mpt_? -67.48 -52.58 37.58 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.621 0.248 . . . . 0.0 110.982 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.432 ' O ' HG23 ' A' ' 62' ' ' VAL . 42.3 mt-10 -70.32 -31.77 69.23 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.944 -0.303 . . . . 0.0 111.11 -178.593 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 65.6 tp -61.58 -44.52 96.86 Favored 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 176.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -60.45 -43.96 96.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.632 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 90.5 t -60.66 -44.37 96.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 CA-C-O 120.985 0.422 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 58' ' ' GLU . 60.4 t -67.19 -38.95 82.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.447 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.475 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 72.8 m -62.8 -41.56 99.34 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.994 0.426 . . . . 0.0 110.187 179.234 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.94 -49.62 69.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.878 -178.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.425 ' HG3' HD12 ' A' ' 66' ' ' ILE . 22.7 ptp -63.73 -34.68 78.42 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.497 -178.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.425 HD12 ' HG3' ' A' ' 65' ' ' MET . 1.4 mp -67.17 -43.72 88.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.038 178.649 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' ' 63' ' ' CYS . 48.4 mt-10 -65.36 -38.05 88.9 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 120.747 0.308 . . . . 0.0 111.381 -178.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.53 -47.87 60.07 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.705 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.37 -42.12 75.6 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 122.94 -0.153 . . . . 0.0 111.381 -178.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.621 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 13.1 pt20 -63.88 -37.53 87.75 Favored 'General case' 0 C--O 1.22 -0.483 0 C-N-CA 120.426 -0.509 . . . . 0.0 110.455 -179.06 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -70.16 -41.96 68.35 Favored Glycine 0 C--O 1.243 0.659 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.299 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.84 -54.5 25.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.134 -0.533 . . . . 0.0 110.256 -179.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.528 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 25.9 tp -57.34 -41.93 80.96 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.187 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.621 ' HB2' ' O ' ' A' ' 70' ' ' GLN . 0.7 OUTLIER -54.19 -50.51 66.88 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.243 0.544 . . . . 0.0 110.022 179.67 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 75' ' ' ARG . 9.1 tpt180 -56.87 -43.1 80.88 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.754 179.192 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -71.49 -55.7 7.35 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.945 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 3.5 pp -58.38 -19.8 38.83 Favored 'General case' 0 CA--C 1.512 -0.505 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -177.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.422 ' N ' HD12 ' A' ' 77' ' ' LEU . 14.9 mmtp -64.06 -10.45 22.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.788 0.328 . . . . 0.0 111.79 -179.308 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 79' ' ' ARG . 8.2 tpt180 -59.33 -25.59 64.31 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.307 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 27.6 m -74.79 97.72 3.33 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.204 0.526 . . . . 0.0 110.732 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -66.67 -44.04 82.88 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.796 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.2 tt -148.29 136.84 21.51 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.696 -0.402 . . . . 0.0 111.416 -178.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.49 ' HB3' ' HB2' ' A' ' 86' ' ' GLU . 0.9 OUTLIER 172.35 115.62 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.787 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.428 HD12 ' H ' ' A' ' 84' ' ' ILE . 2.6 mp -56.21 -45.36 80.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 O-C-N 123.378 0.424 . . . . 0.0 111.943 -175.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.33 -49.85 38.37 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.32 -176.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.49 ' HB2' ' HB3' ' A' ' 83' ' ' ASN . 25.3 mm-40 -60.82 -41.1 95.07 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.53 -178.651 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 19.2 tpp85 -58.26 -49.15 78.14 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 120.907 0.384 . . . . 0.0 110.134 178.193 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -60.1 -40.87 91.14 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.654 179.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -65.02 -51.72 60.02 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.716 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.589 ' HD1' HD11 ' A' ' 19' ' ' ILE . 8.3 m-30 -55.15 -55.25 33.32 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.41 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -60.21 -39.09 85.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.143 -178.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -66.39 -47.3 73.75 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.824 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.74 -43.88 90.35 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.84 0.352 . . . . 0.0 110.793 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -67.27 -32.94 74.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.469 ' O ' HG13 ' A' ' 99' ' ' ILE . 91.4 m -60.1 -49.98 75.5 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 174.762 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.455 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 79.4 mt -70.38 -35.13 73.33 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.262 -178.207 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.491 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 41.5 t -56.28 -52.14 65.6 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.511 178.464 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -63.52 -34.48 77.88 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.175 -179.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 95' ' ' THR . 88.2 mt -65.26 -44.9 94.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 CA-C-O 121.218 0.533 . . . . 0.0 109.88 178.48 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.477 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 98.8 mt -63.44 -42.19 98.68 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.78 179.342 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 97' ' ' SER . 96.3 mt -62.95 -41.71 99.59 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.122 178.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.4 ' HE2' ' HB3' ' A' ' 102' ' ' LYS . 5.6 tmmm? -62.26 -39.75 93.91 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.487 177.317 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -71.31 -34.94 71.06 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.412 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 100' ' ' LEU . 96.3 mt -62.83 -45.89 90.47 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 175.642 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.507 ' HA ' ' HG2' ' A' ' 108' ' ' GLU . 41.8 mttp -57.5 -31.74 66.32 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.402 177.17 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.536 ' O ' ' HE3' ' A' ' 110' ' ' LYS . 41.8 mm-40 -67.93 -41.57 82.37 Favored 'General case' 0 CA--C 1.511 -0.542 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.3 175.621 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.493 ' O ' HG23 ' A' ' 111' ' ' VAL . 25.2 m -66.59 -54.57 22.07 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -177.658 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.507 ' HG2' ' HA ' ' A' ' 105' ' ' LYS . 9.0 pt-20 -54.06 -51.39 64.24 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 111.728 0.269 . . . . 0.0 111.728 179.577 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.457 ' N ' ' HG3' ' A' ' 108' ' ' GLU . 16.1 mm-40 -61.83 -37.71 85.48 Favored 'General case' 0 C--O 1.226 -0.145 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -179.353 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.536 ' HE3' ' O ' ' A' ' 106' ' ' GLU . 0.0 OUTLIER -67.74 -42.82 81.23 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.329 0.585 . . . . 0.0 110.511 179.227 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 107' ' ' THR . 69.8 t -61.15 -43.1 95.66 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.171 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.85 178.138 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' A' ' 108' ' ' GLU . 64.8 mttm -66.37 -25.19 66.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.278 177.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -74.81 -25.78 59.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.753 -178.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.5 mp -74.15 121.19 24.78 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 CA-C-O 121.244 0.545 . . . . 0.0 109.779 177.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -76.62 121.09 22.72 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.758 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 30.7 p -116.56 -174.95 2.66 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.605 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 . . . . . 0 C--O 1.246 0.876 0 O-C-N 123.96 0.788 . . . . 0.0 112.155 179.821 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 . . . . . 0 N--CA 1.48 1.035 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -97.75 -19.16 18.39 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-O 121.142 0.496 . . . . 0.0 110.304 -178.13 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.7 p80 -159.21 155.94 27.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.214 178.16 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -115.16 153.11 47.29 Favored Pre-proline 0 C--N 1.315 -0.924 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.272 -177.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.67 115.8 3.28 Favored 'Trans proline' 0 C--O 1.238 0.493 0 C-N-CA 122.705 2.27 . . . . 0.0 111.696 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.3 mmtm -152.78 136.78 16.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.383 178.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -96.98 127.64 43.16 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.056 0.455 . . . . 0.0 110.815 -178.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -70.99 -27.67 63.88 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.637 -178.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -64.41 -28.3 69.59 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 121.115 0.484 . . . . 0.0 111.318 -177.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -88.98 -16.65 31.22 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.48 -176.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.548 ' NH1' ' HA ' ' A' ' 13' ' ' GLU . 2.1 tmm_? -76.81 102.12 6.16 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 121.193 0.521 . . . . 0.0 110.823 -176.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -79.17 147.97 32.47 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 175.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.548 ' HA ' ' NH1' ' A' ' 11' ' ' ARG . 7.2 tp10 -53.95 -57.88 9.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 123.297 0.373 . . . . 0.0 111.485 -177.1 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -143.02 177.25 8.49 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 -178.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -66.29 -33.55 75.98 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.239 0.542 . . . . 0.0 110.195 178.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -133.34 131.64 40.34 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.07 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.565 HD12 ' H ' ' A' ' 20' ' ' GLU . 0.4 OUTLIER -172.71 106.73 0.17 Allowed 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.098 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.409 ' H ' HD12 ' A' ' 18' ' ' LEU . 6.8 mp -55.83 -53.49 56.05 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.491 -175.534 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.553 HD11 ' CD1' ' A' ' 90' ' ' TYR . 23.6 mm -59.24 -37.23 67.68 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.151 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.12 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.565 ' H ' HD12 ' A' ' 17' ' ' LEU . 4.7 tp10 -57.51 -43.43 84.25 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.005 0.431 . . . . 0.0 110.507 179.564 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -50.01 74.58 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.901 179.357 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.66 -37.1 79.38 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.54 0.686 . . . . 0.0 110.739 -178.048 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -59.84 -42.31 93.3 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.417 -1.265 . . . . 0.0 111.106 -178.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 -77.11 -32.21 56.39 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 119.87 -0.732 . . . . 0.0 112.577 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.35 -44.88 93.55 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 118.541 0.61 . . . . 0.0 111.289 176.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 36.8 pt -67.15 -31.88 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.099 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.241 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -59.25 -44.02 92.4 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 121.473 0.654 . . . . 0.0 109.452 175.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -65.18 -44.0 89.88 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.969 177.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.57 ' O ' ' HG3' ' A' ' 32' ' ' GLN . . . -60.29 -45.89 95.29 Favored Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 116.039 -0.528 . . . . 0.0 113.618 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -64.38 -37.24 86.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.139 0.495 . . . . 0.0 110.883 -178.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -66.23 -48.71 69.66 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.668 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.57 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 1.0 OUTLIER -67.13 -33.85 76.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.134 179.475 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.451 HD11 ' OD1' ' A' ' 103' ' ' ASP . 2.2 tm? -62.47 -52.04 65.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.752 -0.204 . . . . 0.0 110.502 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 pp -65.81 -27.62 68.39 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 120.371 -0.532 . . . . 0.0 110.336 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -65.95 -54.4 26.78 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.813 178.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.37 -31.31 72.36 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.557 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 16.2 mm-40 -59.84 -39.2 84.32 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 121.157 0.503 . . . . 0.0 110.541 177.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 36.0 m80 -66.02 -34.61 78.48 Favored 'General case' 0 C--O 1.25 1.103 0 CA-C-O 121.518 0.675 . . . . 0.0 110.064 176.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -68.56 -41.95 79.03 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.607 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.3 tp -51.67 -46.31 63.73 Favored 'General case' 0 C--N 1.34 0.183 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.268 175.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -57.51 -42.76 83.42 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.016 0.436 . . . . 0.0 110.4 177.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -65.42 -45.42 83.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.051 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.1 tp -56.26 -40.68 74.6 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.997 178.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -58.92 -40.58 84.99 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.995 0.426 . . . . 0.0 111.302 178.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -81.12 -46.08 15.48 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.794 -176.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.406 ' ND2' ' HB2' ' A' ' 48' ' ' SER . 66.4 t30 -77.26 -30.62 54.46 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.032 0.444 . . . . 0.0 110.604 -177.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.524 ' O ' HG22 ' A' ' 116' ' ' THR . 0.1 OUTLIER 57.27 27.06 13.09 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.271 179.75 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.406 ' HB2' ' ND2' ' A' ' 46' ' ' ASN . 44.3 t -67.65 121.5 16.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.155 -178.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.688 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -62.52 -47.88 82.0 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.874 178.704 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 15.8 pt-20 -63.97 -40.03 95.48 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.879 -179.461 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.411 ' O ' HG13 ' A' ' 55' ' ' ILE . 42.2 tp -60.53 -43.66 96.9 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 176.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -57.86 -45.54 86.15 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.757 178.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.494 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 42.4 tt0 -62.07 -46.08 90.69 Favored 'General case' 0 N--CA 1.438 -1.059 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.353 -178.217 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 7.3 mtpm? -65.35 -42.9 92.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.677 0.275 . . . . 0.0 110.359 178.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 51' ' ' LEU . 66.3 mt -60.3 -51.1 76.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.193 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 15.4 tt -66.88 -31.94 55.75 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-O 120.727 0.298 . . . . 0.0 111.354 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' A' ' 53' ' ' GLU . 4.9 tpt85 -68.87 -52.62 27.76 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.093 -178.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -64.94 -33.74 76.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.942 0.401 . . . . 0.0 109.92 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 52.8 tp -60.84 -46.78 89.2 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.927 179.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -64.97 -42.87 94.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.954 -178.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.8 t -62.9 -48.63 87.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 CA-C-O 120.964 0.411 . . . . 0.0 111.357 -178.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 47.3 t -66.35 -33.55 64.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.327 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.769 ' SG ' ' HE2' ' A' ' 105' ' ' LYS . 51.7 t -66.32 -41.32 89.81 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.263 0.554 . . . . 0.0 109.964 177.71 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.52 -45.05 84.99 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.336 -177.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.408 ' HG3' HD12 ' A' ' 66' ' ' ILE . 21.9 ptp -65.87 -36.43 83.4 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.884 0.373 . . . . 0.0 110.347 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.408 HD12 ' HG3' ' A' ' 65' ' ' MET . 1.3 mp -68.02 -41.72 84.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.877 178.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 63' ' ' CYS . 46.3 mt-10 -66.28 -35.54 80.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.132 0.491 . . . . 0.0 110.441 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -68.0 -47.44 59.89 Favored Glycine 0 N--CA 1.443 -0.888 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.189 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.463 ' O ' ' HG ' ' A' ' 73' ' ' LEU . . . -69.83 -39.31 76.52 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -58.63 -44.71 90.08 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-O 121.219 0.533 . . . . 0.0 109.642 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.19 -41.39 99.66 Favored Glycine 0 C--O 1.25 1.113 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.69 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.77 -57.36 7.22 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-N 114.89 -0.655 . . . . 0.0 111.12 -177.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.666 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 4.4 pp -62.95 -38.81 92.54 Favored 'General case' 0 C--O 1.215 -0.727 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.144 -178.195 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.543 ' N ' HD12 ' A' ' 73' ' ' LEU . 11.7 tp10 -55.44 -54.3 45.49 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.093 0.473 . . . . 0.0 110.722 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -62.49 -34.12 76.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.653 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -75.97 -55.21 5.83 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.783 -179.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.666 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 3.7 pp -57.39 -24.94 58.45 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -178.402 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.495 ' N ' HD12 ' A' ' 77' ' ' LEU . 14.0 mmtp -69.09 -31.87 70.89 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-O 121.075 0.465 . . . . 0.0 111.63 -178.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.469 ' O ' ' HD3' ' A' ' 79' ' ' ARG . 1.1 tmt_? -72.05 -29.99 64.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.899 -176.176 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.7 p -95.11 -0.99 52.95 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.526 ' HB2' ' CE2' ' A' ' 90' ' ' TYR . 13.7 t70 -90.84 139.01 31.15 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.762 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.2 pp -165.67 -24.84 0.03 OUTLIER 'General case' 0 CA--C 1.511 -0.552 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -177.072 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.569 ' HB3' ' OE1' ' A' ' 86' ' ' GLU . 26.8 t30 -85.02 155.03 21.73 Favored 'General case' 0 C--N 1.289 -2.042 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -176.341 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 62.5 mt -60.3 -47.04 93.91 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -174.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 50.8 tp -72.34 -45.94 57.71 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 121.178 0.513 . . . . 0.0 110.198 -176.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.569 ' OE1' ' HB3' ' A' ' 83' ' ' ASN . 29.7 mp0 -58.76 -43.48 90.34 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.897 178.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.51 ' HG2' ' OD2' ' A' ' 81' ' ' ASP . 45.8 mtm180 -58.85 -45.24 90.55 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 121.178 0.513 . . . . 0.0 110.76 178.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -64.8 -38.6 91.54 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.185 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -66.12 -50.19 64.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.875 0.369 . . . . 0.0 110.533 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.553 ' CD1' HD11 ' A' ' 19' ' ' ILE . 4.0 m-30 -55.15 -48.87 73.1 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.629 177.394 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -57.33 -42.05 81.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.297 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -66.98 -37.01 83.46 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 120.919 0.39 . . . . 0.0 110.632 -179.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.38 -40.86 96.64 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.418 0.627 . . . . 0.0 109.42 177.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -62.0 -39.12 91.14 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.541 176.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.459 ' O ' HG13 ' A' ' 99' ' ' ILE . 89.9 m -57.03 -50.21 73.43 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.604 178.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 87.7 mt -68.05 -39.23 83.07 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.724 -177.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.0 p -63.02 -41.52 99.56 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.027 0.442 . . . . 0.0 111.128 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.58 ' HE2' ' HA ' ' A' ' 98' ' ' LYS . 6.9 mmpt? -59.89 -44.68 94.09 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.995 178.227 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 95' ' ' THR . 84.1 mt -59.73 -44.37 93.59 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.91 178.131 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.431 HD21 ' HA3' ' A' ' 29' ' ' GLY . 66.6 tp -60.04 -51.98 67.34 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.209 -0.905 . . . . 0.0 112.138 -179.537 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.95 -38.05 89.64 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.976 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -62.95 -50.46 70.71 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 110.509 -0.182 . . . . 0.0 110.509 177.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.451 ' OD1' HD11 ' A' ' 33' ' ' LEU . 5.3 t70 -62.81 -34.69 77.82 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -63.07 -53.67 50.12 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.766 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.769 ' HE2' ' SG ' ' A' ' 63' ' ' CYS . 5.4 mptp? -60.93 -31.85 71.37 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.948 178.524 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -64.95 -36.47 84.48 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 177.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 26.8 m -64.69 -47.5 78.14 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.228 177.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -51.11 -49.47 60.69 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 123.779 0.831 . . . . 0.0 110.998 176.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.555 ' O ' ' HG2' ' A' ' 112' ' ' LYS . 30.8 tt0 -59.94 -39.41 85.45 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.168 178.555 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.41 ' O ' ' HB3' ' A' ' 113' ' ' ASP . 96.0 mttt -71.12 -43.54 67.42 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -177.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 34.6 m -62.41 -40.36 87.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 CA-C-O 120.757 0.313 . . . . 0.0 110.733 178.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.555 ' HG2' ' O ' ' A' ' 109' ' ' GLN . 11.5 ptmm? -76.94 -15.07 59.77 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 120.991 0.424 . . . . 0.0 110.687 177.256 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.41 ' HB3' ' O ' ' A' ' 110' ' ' LYS . 31.8 t70 -74.32 -30.12 61.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.02 178.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.433 HG22 HG23 ' A' ' 116' ' ' THR . 1.5 mp -66.79 124.19 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-O 120.924 0.393 . . . . 0.0 109.995 177.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -79.51 122.25 26.22 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.306 -0.406 . . . . 0.0 109.911 178.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.532 ' HB ' ' HB3' ' A' ' 49' ' ' LYS . 3.3 p -127.9 -164.35 1.36 Allowed 'General case' 0 C--N 1.309 -1.188 0 O-C-N 122.337 -0.227 . . . . 0.0 110.87 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.449 ' HB2' ' HD2' ' A' ' 49' ' ' LYS . 53.5 mt-30 . . . . . 0 C--O 1.246 0.91 0 CA-C-O 118.435 -0.793 . . . . 0.0 110.399 178.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 120.862 0.363 . . . . 0.0 111.388 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -130.75 116.8 18.49 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 121.082 0.468 . . . . 0.0 111.528 -178.052 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 38.3 p-80 -147.22 77.51 1.45 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.371 0.605 . . . . 0.0 110.673 177.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -107.45 147.53 35.45 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.836 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -75.55 -29.8 7.03 Favored 'Trans proline' 0 CA--C 1.532 0.407 0 C-N-CA 122.753 2.302 . . . . 0.0 111.669 177.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -73.63 88.7 1.7 Allowed 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 121.243 0.544 . . . . 0.0 111.096 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.5 ptmm? -88.9 -33.4 17.32 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.031 177.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -94.69 67.12 3.25 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.075 -176.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -80.73 -43.76 19.75 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.488 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -117.42 46.47 1.71 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.584 0.707 . . . . 0.0 109.509 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 11' ' ' ARG . 36.3 mmt180 -136.64 98.01 3.69 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.217 -179.008 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -87.43 -6.71 58.31 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.647 0.736 . . . . 0.0 109.739 178.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -78.81 85.52 4.79 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.834 -179.145 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 47.52 73.83 0.18 Allowed 'General case' 0 C--O 1.236 0.376 0 CA-C-N 114.855 -1.066 . . . . 0.0 112.022 -177.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.4 p-10 -72.58 -44.0 62.64 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.263 -178.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -166.14 164.95 17.96 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 178.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.602 HD12 ' H ' ' A' ' 17' ' ' LEU . 8.1 mp -25.48 119.01 0.06 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.477 1.111 . . . . 0.0 113.489 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.1 mt -58.15 -38.15 76.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.258 -178.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.558 HD11 ' CD1' ' A' ' 90' ' ' TYR . 19.9 mm -62.69 -45.3 99.17 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.346 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.68 178.129 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -58.79 -35.88 73.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.132 0.492 . . . . 0.0 110.81 179.112 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -68.65 -49.84 55.9 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.749 178.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.93 -40.74 89.95 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.572 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -65.45 -35.54 81.22 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.005 -179.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -70.78 -37.92 73.38 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.155 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.78 -47.83 84.11 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.765 177.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 31.5 pt -64.74 -34.68 71.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 C-N-CA 120.749 -0.381 . . . . 0.0 111.109 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -54.64 -52.53 62.0 Favored 'General case' 0 C--O 1.245 0.855 0 CA-C-O 121.253 0.549 . . . . 0.0 109.874 175.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -62.3 -43.24 99.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.489 179.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.48 -44.84 90.28 Favored Glycine 0 C--N 1.337 0.638 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.541 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.426 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 44.3 mt-10 -61.34 -42.76 99.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.026 0.441 . . . . 0.0 110.985 -179.596 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 39.0 t-80 -66.54 -47.65 72.2 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.339 -178.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.18 -31.83 68.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.384 -178.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.431 ' O ' HD22 ' A' ' 33' ' ' LEU . 1.4 tm? -67.21 -48.84 66.67 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.616 0.246 . . . . 0.0 110.567 178.355 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 30' ' ' GLU . 78.4 mt -65.19 -31.21 72.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.162 0.506 . . . . 0.0 109.861 -179.527 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -67.65 -54.62 18.08 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.81 179.113 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.2 mt -60.52 -30.13 69.55 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.291 -0.413 . . . . 0.0 112.028 -178.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -57.45 -31.77 66.27 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 120.834 0.349 . . . . 0.0 110.842 177.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 36.7 t60 -66.92 -43.72 82.58 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 177.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -57.81 -44.46 86.38 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.946 176.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.463 HD11 ' HB2' ' A' ' 110' ' ' LYS . 8.2 tt -50.23 -49.2 53.65 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 123.181 0.592 . . . . 0.0 110.925 175.155 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -56.51 -40.9 75.8 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.113 0.482 . . . . 0.0 110.512 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -68.41 -41.74 80.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.361 178.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.0 tp -56.64 -39.4 73.6 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.765 177.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.451 ' OD1' HD11 ' A' ' 114' ' ' ILE . 92.2 m-20 -58.23 -33.92 69.86 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.13 0.49 . . . . 0.0 110.476 177.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -80.05 -45.34 18.5 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.264 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -79.08 -37.05 39.78 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -176.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.418 ' HE2' ' O ' ' A' ' 44' ' ' ASN . 75.7 mmtt 58.55 22.39 9.67 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 -174.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.9 t -67.86 125.42 26.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.333 -0.849 . . . . 0.0 112.3 -176.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.688 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -63.51 -40.74 97.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.424 176.523 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.599 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 61.9 mm-40 -66.24 -45.32 81.04 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.531 179.588 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 51.4 tp -62.95 -41.76 99.61 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -58.02 -43.5 86.75 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.154 177.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.441 ' O ' ' HD3' ' A' ' 57' ' ' ARG . 36.0 tt0 -61.93 -48.21 81.46 Favored 'General case' 0 N--CA 1.434 -1.259 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.332 -179.547 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.599 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 42.7 mmtm -64.96 -42.54 94.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.84 0.352 . . . . 0.0 110.309 -178.585 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 71.8 mt -60.11 -51.32 74.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.049 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 15.4 tt -68.45 -32.12 54.12 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 121.002 -0.279 . . . . 0.0 111.427 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.441 ' HD3' ' O ' ' A' ' 53' ' ' GLU . 1.5 mpt_? -66.55 -52.1 49.32 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.828 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -66.38 -35.19 79.7 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 120.839 -0.345 . . . . 0.0 110.483 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 23.9 tp -62.7 -44.42 96.29 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -59.52 -46.28 89.32 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.471 178.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 57' ' ' ARG . 64.4 t -62.11 -48.12 89.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.981 -179.689 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 87.3 t -64.65 -41.31 91.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.572 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 50.9 t -63.24 -41.59 99.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.917 0.389 . . . . 0.0 110.193 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.74 -50.67 68.19 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.845 -179.066 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.461 ' HG3' HD12 ' A' ' 66' ' ' ILE . 22.6 ptp -63.46 -37.06 85.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.946 0.403 . . . . 0.0 110.637 -178.688 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.461 HD12 ' HG3' ' A' ' 65' ' ' MET . 1.4 mp -66.78 -45.13 88.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.33 179.174 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -67.27 -39.24 86.04 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.89 0.376 . . . . 0.0 111.062 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.54 -42.78 97.29 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.921 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.65 -39.0 70.65 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 179.033 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.14 -47.78 83.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.09 0.471 . . . . 0.0 110.256 -179.38 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.2 -42.17 91.35 Favored Glycine 0 C--O 1.244 0.72 0 CA-C-N 115.606 -0.725 . . . . 0.0 112.594 -178.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.36 -53.01 49.67 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-O 121.195 0.521 . . . . 0.0 110.192 -178.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.674 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 27.2 tp -56.69 -42.03 78.38 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.488 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.511 ' OE1' HD11 ' A' ' 77' ' ' LEU . 2.2 mm-40 -53.59 -53.07 57.04 Favored 'General case' 0 C--O 1.22 -0.451 0 O-C-N 123.414 0.446 . . . . 0.0 111.454 179.07 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.417 ' C ' ' HD3' ' A' ' 75' ' ' ARG . 4.4 tmt_? -57.83 -41.53 82.45 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 120.58 0.229 . . . . 0.0 110.742 -178.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -72.56 -54.8 8.15 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.633 -178.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.674 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 2.5 pp -59.04 -25.04 63.37 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -177.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.554 ' N ' HD12 ' A' ' 77' ' ' LEU . 59.9 mmtt -64.78 -24.88 67.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.489 0.661 . . . . 0.0 110.537 -178.548 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 26.8 ttp180 -92.4 -11.83 33.85 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.271 -178.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.4 m -128.53 77.08 1.75 Allowed 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -175.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -154.84 137.07 14.83 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 177.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.577 ' O ' ' HB2' ' A' ' 83' ' ' ASN . 51.1 tp -161.14 110.32 1.61 Allowed 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.075 -0.65 . . . . 0.0 111.919 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.577 ' HB2' ' O ' ' A' ' 82' ' ' LEU . 1.2 t-20 121.14 167.99 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.675 1.59 . . . . 0.0 112.348 170.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.8 mt -51.54 -44.9 34.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 114.956 -1.02 . . . . 0.0 113.728 -175.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 59.0 tp -71.45 -45.5 62.44 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.668 -177.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -58.45 -46.23 86.96 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.563 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -57.96 -42.88 85.93 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 121.263 0.554 . . . . 0.0 110.617 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -67.67 -44.49 77.7 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.91 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -57.12 -52.9 63.43 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-O 121.187 0.517 . . . . 0.0 109.89 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.58 ' CE2' ' HB2' ' A' ' 77' ' ' LEU . 5.8 m-85 -55.25 -53.94 49.7 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.565 178.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -53.52 -50.96 64.35 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.67 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -65.79 -48.37 71.99 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -177.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.98 -43.29 86.43 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.87 0.367 . . . . 0.0 111.446 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -63.52 -36.63 84.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.175 178.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 59.5 m -60.61 -50.87 71.79 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.991 176.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 87.9 mt -67.43 -40.58 85.51 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.534 -176.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 6.0 p -60.33 -46.36 90.18 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.676 -178.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -60.37 -42.78 96.53 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.755 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 79.5 mt -61.83 -44.38 98.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-O 121.268 0.556 . . . . 0.0 110.298 178.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.503 ' O ' HD23 ' A' ' 104' ' ' LEU . 3.2 tm? -56.61 -51.22 69.52 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.985 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 101' ' ' LEU . 4.1 mm? -60.63 -38.62 85.39 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 111.976 0.362 . . . . 0.0 111.976 -179.161 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -65.35 -33.73 76.66 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 121.084 -0.246 . . . . 0.0 111.035 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -71.48 -38.28 71.22 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.503 HD23 ' O ' ' A' ' 100' ' ' LEU . 4.4 mm? -63.31 -48.74 76.8 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.824 0.345 . . . . 0.0 110.337 178.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.402 ' HA ' ' HD3' ' A' ' 105' ' ' LYS . 57.0 mmtt -61.81 -35.33 77.88 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.686 ' O ' ' HG2' ' A' ' 110' ' ' LYS . 34.7 tt0 -66.02 -38.13 87.64 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 177.407 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 37.6 m -61.23 -48.85 79.59 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.27 178.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -51.38 -47.49 62.85 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.531 175.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.578 ' HA ' ' HE2' ' A' ' 112' ' ' LYS . 63.4 tt0 -59.39 -42.15 91.06 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.341 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.686 ' HG2' ' O ' ' A' ' 106' ' ' GLU . 13.8 mmmm -64.63 -49.17 72.11 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.212 0.529 . . . . 0.0 110.9 -178.596 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 35.1 m -65.23 -40.81 89.88 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.658 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.576 -176.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.578 ' HE2' ' HA ' ' A' ' 109' ' ' GLN . 50.4 pttt -75.35 -14.95 60.51 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.975 0.417 . . . . 0.0 111.11 178.256 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -78.65 -24.73 45.06 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.552 177.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.451 HD11 ' OD1' ' A' ' 44' ' ' ASN . 1.5 mp -68.29 120.38 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 176.288 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -72.03 124.8 25.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.162 0.506 . . . . 0.0 111.074 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 55.5 p -122.19 -163.74 1.1 Allowed 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.098 179.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.51 ' HB2' ' HD2' ' A' ' 49' ' ' LYS . 49.4 mt-30 . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.451 -0.785 . . . . 0.0 109.606 175.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 . . . . . 0 N--CA 1.474 0.756 0 CA-C-O 120.879 0.371 . . . . 0.0 111.319 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -64.07 -55.5 21.66 Favored 'General case' 0 N--CA 1.453 -0.321 0 O-C-N 122.04 -0.413 . . . . 0.0 109.928 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -94.19 104.46 16.47 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.343 0.592 . . . . 0.0 111.249 178.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -63.67 165.62 11.66 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.882 177.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -49.11 158.59 1.32 Allowed 'Trans proline' 0 C--N 1.367 1.517 0 C-N-CA 122.887 2.391 . . . . 0.0 111.71 177.071 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -93.89 135.04 35.64 Favored 'General case' 0 C--N 1.311 -1.073 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.212 -173.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 8' ' ' ASP . 20.4 pttm -64.15 -41.12 97.3 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.38 0.609 . . . . 0.0 109.905 177.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.429 ' N ' ' HG3' ' A' ' 7' ' ' LYS . 21.1 m-20 -82.64 141.68 32.32 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.901 -178.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -107.13 34.08 3.66 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.012 0.434 . . . . 0.0 110.738 -177.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -56.46 157.74 4.88 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.682 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -143.96 -159.46 0.99 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.362 -173.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -79.73 25.63 0.34 Allowed 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.154 0.502 . . . . 0.0 111.195 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -97.38 119.2 35.49 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.63 179.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -109.08 76.22 0.99 Allowed 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.424 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.24 -29.4 63.9 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.245 177.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.4 p80 41.76 70.31 0.29 Allowed 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.135 0.974 . . . . 0.0 112.628 -179.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.644 ' HB2' ' OE1' ' A' ' 20' ' ' GLU . 87.5 mt -126.58 -165.11 1.41 Allowed 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.128 178.301 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.434 HD13 ' HA ' ' A' ' 77' ' ' LEU . 49.0 mt -57.59 -60.56 3.48 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -176.294 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.461 HD11 ' CD1' ' A' ' 90' ' ' TYR . 33.0 mm -67.09 -35.93 75.7 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.633 0 C-N-CA 121.148 -0.221 . . . . 0.0 111.506 -177.716 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.644 ' OE1' ' HB2' ' A' ' 17' ' ' LEU . 22.2 mp0 -57.24 -44.32 83.74 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 120.836 0.35 . . . . 0.0 110.445 178.544 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 17' ' ' LEU . 88.3 mm-40 -68.31 -40.1 81.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.037 179.181 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.435 ' HB2' ' CD2' ' A' ' 73' ' ' LEU . . . -67.95 -38.22 82.55 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 121.509 0.671 . . . . 0.0 110.435 178.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.473 ' HA ' HG12 ' A' ' 26' ' ' ILE . 16.5 t-20 -66.87 -38.61 86.65 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.444 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -62.72 -43.38 98.95 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.384 177.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.52 -50.2 73.68 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 115.925 -0.58 . . . . 0.0 112.02 178.208 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.473 HG12 ' HA ' ' A' ' 23' ' ' ASN . 39.1 pt -67.14 -31.37 52.91 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.393 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.213 -179.48 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -59.1 -55.19 38.22 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-O 121.392 0.615 . . . . 0.0 109.425 175.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -62.94 -39.8 95.7 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.704 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.5 -43.09 99.77 Favored Glycine 0 C--N 1.334 0.463 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.517 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -60.05 -47.76 84.54 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.303 0.573 . . . . 0.0 110.748 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -63.65 -48.19 78.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.172 -177.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -68.37 -33.04 73.56 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.407 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.554 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 1.4 tm? -64.19 -46.92 81.83 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 178.247 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.0 mt -63.52 -31.5 72.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.156 0.503 . . . . 0.0 109.681 179.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -68.79 -53.18 23.18 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.87 178.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.97 -32.36 72.8 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 116.354 -0.384 . . . . 0.0 112.032 -177.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.554 ' HG3' ' O ' ' A' ' 33' ' ' LEU . 84.3 mt-30 -63.18 -30.09 71.31 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.19 177.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -72.29 -32.82 66.94 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.345 176.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -67.2 -44.96 78.29 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 177.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.493 HD22 HG23 ' A' ' 107' ' ' THR . 54.1 tp -52.91 -47.26 68.1 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.728 175.575 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -59.14 -41.38 88.12 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.518 0.675 . . . . 0.0 110.216 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -62.74 -44.75 95.41 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.141 178.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -63.54 -35.96 82.21 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 123.145 0.578 . . . . 0.0 111.455 -177.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -60.52 -38.31 83.97 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.127 0.489 . . . . 0.0 110.589 -177.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -89.86 -39.4 13.09 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.653 -179.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -71.64 -37.22 70.87 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -176.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? 53.35 101.64 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.937 0 CA-C-O 122.005 0.907 . . . . 0.0 111.944 -176.184 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.427 ' HB2' ' HB3' ' A' ' 51' ' ' LEU . 12.6 m -156.11 117.66 3.92 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 114.621 -1.172 . . . . 0.0 111.978 -177.369 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.675 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -60.61 -42.23 96.38 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 121.006 0.432 . . . . 0.0 110.085 177.895 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.493 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 9.1 pt-20 -64.51 -38.98 92.89 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.132 178.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.427 ' HB3' ' HB2' ' A' ' 48' ' ' SER . 47.2 tp -68.65 -39.52 80.64 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.352 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.584 ' HG3' HG22 ' A' ' 111' ' ' VAL . 50.4 tt0 -59.92 -44.54 94.25 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.378 177.383 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' A' ' 49' ' ' LYS . 46.2 mt-10 -59.9 -45.11 93.59 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.435 178.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.493 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 45.2 mmtm -60.4 -45.68 92.69 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.003 0.43 . . . . 0.0 110.712 179.317 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 69.6 mt -61.25 -53.52 47.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.453 -178.184 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.411 HG22 ' O ' ' A' ' 52' ' ' GLN . 12.5 tt -66.05 -35.2 74.47 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 120.981 -0.288 . . . . 0.0 111.471 -178.714 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -67.46 -47.53 69.84 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 111.558 0.207 . . . . 0.0 111.558 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.441 ' HA ' HG12 ' A' ' 61' ' ' VAL . 28.5 tt0 -71.55 -34.35 69.92 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 120.125 -0.63 . . . . 0.0 111.071 179.006 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 23.5 tp -62.88 -46.43 87.9 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.314 0.578 . . . . 0.0 109.651 179.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -61.06 -48.21 82.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.806 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.441 HG12 ' HA ' ' A' ' 58' ' ' GLU . 10.0 p -63.42 -35.89 74.11 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.662 0 CA-C-O 120.81 0.338 . . . . 0.0 110.908 -178.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 53.8 t -69.17 -40.64 80.75 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.172 0 CA-C-N 116.353 -0.385 . . . . 0.0 109.969 176.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 45.3 t -62.84 -39.42 94.29 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.851 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.48 -46.69 72.22 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.762 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.451 ' HG3' HD12 ' A' ' 66' ' ' ILE . 23.5 ptp -67.32 -35.13 78.8 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.587 -178.508 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.451 HD12 ' HG3' ' A' ' 65' ' ' MET . 1.5 mp -67.75 -43.35 86.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.546 177.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -69.51 -38.02 77.41 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -179.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.51 -46.9 88.96 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.78 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.62 -38.41 86.88 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.676 0.274 . . . . 0.0 110.441 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.647 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 15.8 mt-30 -62.48 -44.86 95.37 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.755 179.043 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.04 -43.56 95.6 Favored Glycine 0 C--O 1.238 0.347 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.334 -178.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.25 -56.23 16.05 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 121.199 0.523 . . . . 0.0 110.64 -178.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.518 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 47.3 tp -61.39 -38.76 88.23 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.603 -178.536 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.647 ' HB2' ' O ' ' A' ' 70' ' ' GLN . 1.5 tm-20 -55.42 -52.3 64.04 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.849 0.357 . . . . 0.0 110.2 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -58.99 -38.7 79.76 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.994 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -69.96 -54.71 12.08 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.332 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 3.7 pp -60.85 -23.65 65.29 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -179.581 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.423 ' HD3' ' HA ' ' A' ' 78' ' ' LYS . 23.9 mmtp -69.74 -19.58 63.54 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.198 0.523 . . . . 0.0 111.188 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 -79.23 -15.16 58.45 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.116 -177.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.4 m -82.86 139.95 33.16 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.693 179.082 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -48.51 137.25 11.87 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 122.857 0.463 . . . . 0.0 111.559 179.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.506 HD13 ' H ' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -72.06 73.21 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.975 0.893 . . . . 0.0 112.488 177.71 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -76.53 164.57 25.82 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 114.891 -1.05 . . . . 0.0 110.306 -178.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.8 mp -57.37 -54.76 26.55 Favored 'Isoleucine or valine' 0 C--O 1.242 0.668 0 CA-C-O 120.885 0.374 . . . . 0.0 111.645 -176.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 63.9 tp -70.27 -51.68 28.64 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.593 -178.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -55.71 -47.41 76.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.138 -0.483 . . . . 0.0 112.134 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -61.83 -42.6 99.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.016 0.436 . . . . 0.0 110.75 -178.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -63.48 -45.62 89.9 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.704 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -59.97 -47.46 85.73 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.208 179.123 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.461 ' CD1' HD11 ' A' ' 19' ' ' ILE . 5.3 m-30 -55.7 -50.08 71.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.473 177.284 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -57.51 -49.66 75.59 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.711 -179.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -67.03 -40.02 87.13 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.355 -177.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.49 -43.82 96.18 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 121.125 0.488 . . . . 0.0 109.795 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.435 ' O ' ' HG3' ' A' ' 98' ' ' LYS . 9.2 mm-40 -64.56 -34.52 78.44 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.969 177.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.517 ' O ' HG13 ' A' ' 99' ' ' ILE . 88.5 m -63.2 -49.14 75.39 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.48 176.714 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 89.2 mt -69.43 -38.63 77.93 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.35 -176.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.437 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 7.9 p -61.61 -43.88 98.04 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 120.681 0.277 . . . . 0.0 111.125 -179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 94' ' ' GLN . 61.2 mttp -61.29 -34.52 75.33 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.412 177.638 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.517 HG13 ' O ' ' A' ' 95' ' ' THR . 84.9 mt -66.81 -48.36 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-O 121.164 0.507 . . . . 0.0 110.048 178.46 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.484 ' O ' HD23 ' A' ' 104' ' ' LEU . 90.5 mt -58.79 -49.24 78.41 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.951 -179.62 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 97' ' ' SER . 94.5 mt -56.0 -41.08 74.31 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.871 179.628 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -68.15 -33.48 74.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.356 178.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -75.59 -37.73 59.63 Favored 'General case' 0 C--O 1.24 0.605 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.22 -179.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.504 HD13 HD23 ' A' ' 33' ' ' LEU . 4.6 mm? -62.03 -50.44 72.01 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.128 0.49 . . . . 0.0 109.686 175.34 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -58.23 -33.22 69.1 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.479 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.659 ' O ' ' HG2' ' A' ' 110' ' ' LYS . 9.1 mm-40 -67.16 -39.46 86.5 Favored 'General case' 0 CA--C 1.51 -0.586 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 176.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.493 HG23 HD22 ' A' ' 40' ' ' LEU . 38.2 m -63.4 -45.82 89.26 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.62 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.582 ' HG2' ' HD3' ' A' ' 112' ' ' LYS . 19.8 tt0 -51.11 -49.23 61.15 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.023 176.489 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -60.28 -38.53 83.86 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.16 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.659 ' HG2' ' O ' ' A' ' 106' ' ' GLU . 70.7 mmtt -65.32 -49.06 70.88 Favored 'General case' 0 C--O 1.242 0.703 0 CA-C-O 121.361 0.601 . . . . 0.0 111.607 -177.392 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.584 HG22 ' HG3' ' A' ' 52' ' ' GLN . 12.1 p -65.55 -38.94 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.483 -178.221 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.582 ' HD3' ' HG2' ' A' ' 108' ' ' GLU . 47.7 mtpt -71.02 -15.63 62.57 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 175.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -83.82 -22.08 31.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.147 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.3 mp -74.83 122.96 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-O 121.419 0.628 . . . . 0.0 110.168 176.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -81.76 124.22 29.44 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.763 176.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.4 p -126.19 175.55 7.7 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.608 -178.346 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 . . . . . 0 C--O 1.253 1.24 0 O-C-N 123.921 0.763 . . . . 0.0 110.833 -179.614 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 . . . . . 0 N--CA 1.475 0.788 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -95.06 -75.09 0.53 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.919 0.39 . . . . 0.0 111.066 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -111.67 69.88 0.7 Allowed 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.054 -176.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.414 ' HE3' ' HB3' ' A' ' 4' ' ' LYS . 26.5 mmmt -43.69 124.5 3.9 Favored Pre-proline 0 N--CA 1.471 0.583 0 CA-C-O 121.62 0.724 . . . . 0.0 110.984 174.2 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -61.97 153.13 70.81 Favored 'Trans proline' 0 CA--C 1.518 -0.319 0 C-N-CA 123.973 3.115 . . . . 0.0 114.094 -175.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -143.84 170.43 15.91 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 114.32 -1.309 . . . . 0.0 107.706 175.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.67 154.46 44.05 Favored 'General case' 0 C--N 1.304 -1.38 0 C-N-CA 120.251 -0.58 . . . . 0.0 110.23 178.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -55.76 134.29 51.49 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.911 178.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -81.03 -4.5 55.4 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.218 0.533 . . . . 0.0 110.3 -178.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -82.34 -6.08 59.02 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.853 177.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 66.7 mtp180 -114.97 -179.21 3.56 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.142 -178.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -67.63 108.45 2.9 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.623 -178.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -130.32 18.81 5.36 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.612 177.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 10.8 t80 58.84 33.93 23.36 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 114.715 -1.13 . . . . 0.0 111.768 178.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -73.75 -21.9 60.04 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.022 0.439 . . . . 0.0 109.82 178.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 75.36 43.1 0.21 Allowed 'General case' 0 C--O 1.234 0.28 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.181 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.499 ' HG ' ' H ' ' A' ' 20' ' ' GLU . 9.9 tp -98.94 143.84 28.78 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 114.71 -1.132 . . . . 0.0 109.81 177.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.429 HD12 ' H ' ' A' ' 18' ' ' LEU . 7.2 mp -51.89 -59.35 4.43 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 122.869 0.468 . . . . 0.0 111.717 -179.07 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.466 HD11 ' CD1' ' A' ' 90' ' ' TYR . 21.8 mm -60.77 -34.01 57.41 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.25 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.13 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.499 ' H ' ' HG ' ' A' ' 17' ' ' LEU . 38.2 tt0 -62.27 -49.13 76.92 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.766 -179.2 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -62.3 -46.08 90.35 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.443 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.45 -41.82 85.99 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 121.021 0.439 . . . . 0.0 110.982 176.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.441 ' HA ' HG12 ' A' ' 26' ' ' ILE . 28.0 t-20 -63.51 -41.59 98.52 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 179.167 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -61.38 -42.67 99.09 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.566 177.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.14 -45.92 86.4 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.752 -0.204 . . . . 0.0 111.533 178.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.441 HG12 ' HA ' ' A' ' 23' ' ' ASN . 33.3 pt -67.62 -33.8 64.19 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.16 0 C-N-CA 120.543 -0.463 . . . . 0.0 111.316 -179.309 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -60.52 -42.41 96.39 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 174.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -67.11 -46.25 74.75 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.143 177.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.427 ' O ' ' HG3' ' A' ' 32' ' ' GLN . . . -60.11 -43.65 98.1 Favored Glycine 0 C--O 1.221 -0.668 0 N-CA-C 111.885 -0.486 . . . . 0.0 111.885 -178.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.503 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 41.8 tt0 -59.06 -45.01 91.88 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.227 0.537 . . . . 0.0 110.387 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -67.05 -43.76 81.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.355 -178.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -69.94 -31.57 69.4 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.894 -0.323 . . . . 0.0 110.32 -179.886 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.476 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 1.8 tm? -65.85 -47.25 75.56 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 177.056 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 30' ' ' GLU . 96.3 mt -63.64 -33.85 76.53 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -68.34 -51.2 47.1 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.662 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.85 -34.33 75.78 Favored 'General case' 0 C--N 1.338 0.084 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.833 -178.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.476 ' HG3' ' O ' ' A' ' 33' ' ' LEU . 89.3 mt-30 -65.58 -26.98 68.1 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.265 0.555 . . . . 0.0 110.534 178.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -72.2 -32.93 67.23 Favored 'General case' 0 C--O 1.245 0.826 0 CA-C-O 121.376 0.608 . . . . 0.0 109.598 175.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -68.6 -40.95 80.23 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 177.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.0 tp -52.15 -45.09 64.9 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.243 173.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -56.84 -42.56 79.89 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.983 0.42 . . . . 0.0 110.455 178.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -66.14 -46.64 76.8 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.333 177.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.5 tp -56.07 -41.22 74.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.369 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -60.45 -32.63 71.56 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.106 0.479 . . . . 0.0 111.097 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -84.45 -45.11 13.01 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.691 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.503 ' HB3' ' OG ' ' A' ' 48' ' ' SER . 94.7 m-20 -77.99 -33.18 51.43 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.298 -0.41 . . . . 0.0 112.091 -177.111 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt 57.04 20.41 5.43 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.29 -175.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.503 ' OG ' ' HB3' ' A' ' 46' ' ' ASN . 13.6 m -65.68 118.79 10.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.391 -177.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.559 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -62.21 -43.46 98.79 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.838 -179.246 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.491 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 10.5 pt-20 -61.84 -43.67 98.38 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 121.202 -0.199 . . . . 0.0 110.772 179.089 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.6 tp -59.51 -41.9 90.97 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 176.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -58.22 -44.58 88.26 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.262 177.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 7.4 mm-40 -59.05 -50.35 74.4 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.948 179.368 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 10.5 mmpt? -60.36 -47.33 86.53 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.416 -179.487 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 68.0 mt -60.04 -51.79 68.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.01 -177.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.485 ' O ' HD13 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -69.83 -35.86 67.0 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 C-N-CA 121.068 -0.253 . . . . 0.0 111.462 -177.517 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.432 ' O ' HG23 ' A' ' 61' ' ' VAL . 6.2 mpt_? -65.99 -52.49 48.96 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -179.391 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.479 ' O ' HG23 ' A' ' 62' ' ' VAL . 31.1 tt0 -66.42 -33.17 75.11 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.32 -179.415 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 23.1 tp -62.52 -43.63 98.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.01 0.433 . . . . 0.0 110.02 178.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.59 ' HA ' ' SG ' ' A' ' 63' ' ' CYS . 32.0 t70 -62.24 -39.32 92.47 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.162 178.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 57' ' ' ARG . 67.2 t -64.04 -46.42 93.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.083 178.699 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 58' ' ' GLU . 59.7 t -64.35 -41.84 93.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.577 -178.662 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.59 ' SG ' ' HA ' ' A' ' 60' ' ' ASP . 11.8 p -70.78 -30.47 66.95 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 119.932 -0.707 . . . . 0.0 110.613 -178.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.57 -47.83 62.31 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.386 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.468 ' HG3' HD12 ' A' ' 66' ' ' ILE . 22.4 ptp -63.07 -35.78 81.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.944 0.402 . . . . 0.0 110.215 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.468 HD12 ' HG3' ' A' ' 65' ' ' MET . 1.5 mp -66.52 -39.27 83.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.641 177.491 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -66.16 -35.81 81.46 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.138 0.494 . . . . 0.0 110.319 179.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.74 -48.32 62.34 Favored Glycine 0 N--CA 1.443 -0.855 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.977 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.457 ' O ' ' HG ' ' A' ' 73' ' ' LEU . . . -67.06 -39.36 86.88 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.738 -0.231 . . . . 0.0 110.391 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.51 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 0.3 OUTLIER -57.96 -41.67 83.37 Favored 'General case' 0 C--O 1.215 -0.738 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 179.376 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.52 -42.5 93.58 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.55 -0.75 . . . . 0.0 112.505 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.71 -59.75 3.3 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 120.804 0.335 . . . . 0.0 111.402 -177.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 69' ' ' ALA . 4.5 pp -59.66 -34.55 72.98 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.703 -178.073 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.51 ' HB2' ' O ' ' A' ' 70' ' ' GLN . 0.2 OUTLIER -60.37 -53.05 62.23 Favored 'General case' 0 C--O 1.22 -0.451 0 O-C-N 123.312 0.382 . . . . 0.0 110.279 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -58.76 -36.36 74.25 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.169 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -68.98 -55.24 11.49 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.095 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.661 ' HB2' ' CE2' ' A' ' 90' ' ' TYR . 4.4 pp -61.0 -21.64 63.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.128 0.49 . . . . 0.0 112.014 -179.569 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 64.9 mmtt -74.81 -9.81 58.9 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.322 -179.184 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -50.98 -59.96 3.59 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.77 -176.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 17.6 m -159.16 72.95 0.57 Allowed 'General case' 0 C--O 1.239 0.511 0 CA-C-O 120.746 0.308 . . . . 0.0 111.351 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -76.91 53.92 0.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.929 -0.482 . . . . 0.0 112.117 177.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.438 ' O ' ' HB2' ' A' ' 83' ' ' ASN . 1.2 tm? -85.55 92.15 8.45 Favored 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 178.232 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.463 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 20.3 t-20 171.15 126.69 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.604 -176.355 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 58.5 mt -58.46 -40.71 79.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -177.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -71.64 -48.39 48.14 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -177.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.413 ' HB2' ' HB3' ' A' ' 83' ' ' ASN . 43.5 mt-10 -57.0 -44.56 82.87 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.911 179.438 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 83' ' ' ASN . 48.8 mtm105 -61.49 -40.97 96.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.114 0.483 . . . . 0.0 111.115 -179.28 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -62.88 -44.18 96.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.38 178.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -65.97 -47.34 74.88 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.032 178.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.661 ' CE2' ' HB2' ' A' ' 77' ' ' LEU . 4.0 m-30 -54.75 -54.34 43.32 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.061 0.458 . . . . 0.0 110.839 177.504 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -58.1 -46.85 84.84 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.529 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -63.77 -47.75 79.71 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 121.096 -0.242 . . . . 0.0 111.45 -178.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.06 -46.4 82.49 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 120.603 0.24 . . . . 0.0 110.963 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.445 ' O ' ' HG3' ' A' ' 98' ' ' LYS . 28.5 mm-40 -64.68 -36.08 83.1 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.899 178.747 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.524 ' O ' HD13 ' A' ' 99' ' ' ILE . 86.0 m -59.03 -44.92 91.81 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.065 0.46 . . . . 0.0 109.76 177.067 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 79.3 mt -70.74 -37.29 73.46 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.897 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.479 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 50.1 m -59.5 -51.44 69.85 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.282 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 94' ' ' GLN . 52.8 mtmt -60.88 -42.79 98.62 Favored 'General case' 0 C--N 1.34 0.173 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.92 -178.65 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.524 HD13 ' O ' ' A' ' 95' ' ' THR . 1.6 mp -61.36 -43.14 96.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.746 179.203 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.407 ' O ' HD23 ' A' ' 104' ' ' LEU . 79.1 mt -65.15 -45.67 84.04 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.967 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.519 ' O ' ' HG2' ' A' ' 105' ' ' LYS . 86.5 mt -58.01 -40.6 81.2 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.364 179.049 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -60.57 -48.11 83.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.172 177.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.15 -30.7 71.24 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.935 -0.306 . . . . 0.0 111.266 -177.299 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.407 HD23 ' O ' ' A' ' 100' ' ' LEU . 3.8 mm? -62.46 -51.24 68.27 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.103 0.478 . . . . 0.0 110.018 175.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.519 ' HG2' ' O ' ' A' ' 101' ' ' LEU . 1.1 mmmp? -61.62 -30.48 70.72 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.902 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -68.13 -41.09 82.19 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.608 0.718 . . . . 0.0 109.235 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.411 ' O ' HG23 ' A' ' 111' ' ' VAL . 48.9 m -62.9 -52.81 61.62 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.963 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.512 ' HG3' ' N ' ' A' ' 109' ' ' GLN . 5.0 pt-20 -54.11 -39.71 66.66 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 121.176 -0.21 . . . . 0.0 111.377 178.297 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.531 ' HA ' ' CD ' ' A' ' 112' ' ' LYS . 78.3 mt-30 -57.56 -40.38 78.81 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.932 178.308 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -68.9 -42.05 77.43 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.155 0.502 . . . . 0.0 110.919 178.076 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 107' ' ' THR . 82.5 t -59.22 -50.01 81.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.199 178.697 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.531 ' CD ' ' HA ' ' A' ' 109' ' ' GLN . 10.3 ptmt -72.31 -14.85 61.85 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.827 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -76.93 -28.73 55.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.346 177.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.441 HG22 HG23 ' A' ' 116' ' ' THR . 1.5 mp -72.23 119.85 19.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.866 0.841 . . . . 0.0 110.735 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.468 ' O ' ' HG2' ' A' ' 115' ' ' GLN . 15.4 pm0 -75.08 119.91 19.88 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 114.547 -1.206 . . . . 0.0 109.117 176.714 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.441 HG23 HG22 ' A' ' 114' ' ' ILE . 57.7 p -112.07 176.19 5.12 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 120.547 -0.461 . . . . 0.0 112.005 -179.266 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 10.3 tm0? . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.627 -0.702 . . . . 0.0 110.18 -177.546 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 . . . . . 0 N--CA 1.47 0.545 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -59.65 127.95 34.53 Favored 'General case' 0 CA--C 1.515 -0.381 0 O-C-N 123.226 0.329 . . . . 0.0 110.745 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -88.56 67.98 8.62 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 121.054 0.454 . . . . 0.0 111.586 -179.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 44.4 mttp -70.72 134.64 86.04 Favored Pre-proline 0 C--N 1.318 -0.79 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.939 177.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -61.78 93.13 0.12 Allowed 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.821 2.348 . . . . 0.0 113.056 -178.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.09 102.37 0.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.746 177.308 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.559 ' HG3' ' H ' ' A' ' 8' ' ' ASP . 20.7 tptm -91.73 -177.05 4.65 Favored 'General case' 0 N--CA 1.434 -1.26 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 177.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.559 ' H ' ' HG3' ' A' ' 7' ' ' LYS . 3.7 m-20 -57.55 154.03 11.98 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.84 0.352 . . . . 0.0 110.749 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -76.92 -15.43 59.67 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 120.904 0.383 . . . . 0.0 110.303 178.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -102.55 88.04 3.15 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 177.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -134.82 131.04 36.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.781 -178.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 63.09 21.92 13.14 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 123.571 0.544 . . . . 0.0 111.112 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -97.56 4.63 50.26 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.36 0.6 . . . . 0.0 109.822 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -54.37 150.09 9.27 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.301 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -50.27 -53.93 24.91 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.454 -176.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 57.97 87.24 0.07 Allowed 'General case' 0 N--CA 1.472 0.641 0 O-C-N 123.52 0.513 . . . . 0.0 110.515 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.537 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 1.8 pt? -156.66 90.23 1.15 Allowed 'General case' 0 N--CA 1.442 -0.852 0 CA-C-O 121.664 0.745 . . . . 0.0 109.944 -177.15 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.504 HD23 ' HA ' ' A' ' 77' ' ' LEU . 8.9 mp -62.99 -79.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.509 -0.768 . . . . 0.0 112.64 -175.329 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.445 HD11 ' CD1' ' A' ' 90' ' ' TYR . 22.0 mm -63.15 -31.34 52.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.534 -178.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.537 ' HB2' ' HB2' ' A' ' 17' ' ' LEU . 5.4 mm-40 -56.55 -47.5 79.32 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.489 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -69.25 -41.0 77.51 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.507 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.98 -47.39 74.67 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.174 176.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -61.44 -37.16 82.51 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.614 178.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 41.2 t-80 -71.69 -39.07 70.46 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.458 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.27 -45.51 84.22 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.6 pt -64.12 -33.81 64.77 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.145 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.456 179.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -62.11 -45.6 92.76 Favored 'General case' 0 C--O 1.244 0.798 0 CA-C-O 121.317 0.58 . . . . 0.0 109.528 175.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -65.61 -47.47 75.53 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.258 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.48 -43.73 98.47 Favored Glycine 0 C--O 1.222 -0.61 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.349 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.503 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 33.9 tt0 -57.54 -48.14 80.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.644 -0.278 . . . . 0.0 110.789 -179.46 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -67.42 -40.55 85.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.853 -177.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -71.47 -33.29 69.19 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 120.629 -0.429 . . . . 0.0 110.645 -179.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.589 HD23 HD23 ' A' ' 104' ' ' LEU . 1.9 tm? -67.04 -45.6 76.95 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 177.319 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 30' ' ' GLU . 97.3 mt -64.85 -34.64 78.86 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.937 179.576 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -68.62 -50.57 50.4 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.813 178.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.41 HD13 ' O ' ' A' ' 36' ' ' LEU . 1.7 tm? -62.33 -35.77 80.1 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.255 -178.282 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.403 ' O ' ' HB3' ' A' ' 40' ' ' LEU . 32.5 tt0 -61.95 -33.43 74.27 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.055 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -68.47 -42.91 78.04 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.867 176.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.406 ' O ' ' HB3' ' A' ' 42' ' ' GLU . 84.4 mm-40 -59.03 -42.1 89.39 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.586 176.165 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.432 HD22 HG23 ' A' ' 107' ' ' THR . 35.2 tp -52.05 -45.1 64.56 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.655 174.341 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -60.01 -39.19 84.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.273 0.558 . . . . 0.0 110.309 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.406 ' HB3' ' O ' ' A' ' 39' ' ' GLN . 14.5 tp10 -64.25 -41.25 97.05 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.197 179.078 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 34.6 tp -66.61 -32.07 73.17 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 120.745 0.307 . . . . 0.0 110.994 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.51 ' O ' ' HE3' ' A' ' 47' ' ' LYS . 12.3 m-80 -60.86 -37.09 80.92 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-O 121.083 0.468 . . . . 0.0 110.782 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -90.26 -40.36 12.2 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.958 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -77.94 -34.67 51.04 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -177.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.51 ' HE3' ' O ' ' A' ' 44' ' ' ASN . 31.9 mmtp 55.56 15.21 1.42 Allowed 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -178.699 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.0 t -64.23 122.46 16.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.566 0.222 . . . . 0.0 111.478 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.68 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -62.48 -40.67 97.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.22 178.946 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -60.6 -45.69 93.05 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 177.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.412 ' O ' HG13 ' A' ' 55' ' ' ILE . 50.9 tp -61.15 -40.27 93.21 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 177.593 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.613 ' OE1' HG22 ' A' ' 111' ' ' VAL . 4.6 tp60 -54.47 -52.7 61.05 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.126 176.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 20.3 mt-10 -58.58 -45.52 88.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.952 -178.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -63.54 -44.51 93.98 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.809 0.338 . . . . 0.0 111.542 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 51' ' ' LEU . 71.6 mt -63.18 -51.37 72.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.733 -178.551 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 16.3 tt -67.78 -35.45 72.54 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.587 -178.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.463 ' HB2' ' O ' ' A' ' 53' ' ' GLU . 3.9 mpt_? -66.09 -47.93 72.61 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.432 0.158 . . . . 0.0 111.271 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.49 -34.48 75.98 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.694 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 51.2 tp -63.46 -45.35 91.23 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.232 0.539 . . . . 0.0 109.912 178.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -61.81 -49.14 77.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.496 -0.775 . . . . 0.0 112.247 -178.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.5 p -62.27 -37.49 78.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 CA-C-O 120.782 0.325 . . . . 0.0 111.479 -178.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.9 t -72.11 -37.01 58.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.913 0.387 . . . . 0.0 110.005 178.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 46.8 t -64.83 -39.13 93.08 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.02 -48.1 69.4 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.75 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.427 ' HG3' HD12 ' A' ' 66' ' ' ILE . 21.1 ptp -63.04 -37.59 87.81 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.384 -179.261 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.427 HD12 ' HG3' ' A' ' 65' ' ' MET . 1.4 mp -65.04 -42.39 94.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.743 178.407 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -66.07 -39.73 90.3 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-O 120.906 0.384 . . . . 0.0 110.995 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.91 -46.56 89.02 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.187 -179.172 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.36 -39.78 85.72 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -62.94 -46.21 88.83 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.866 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.05 -42.09 96.86 Favored Glycine 0 C--O 1.241 0.579 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.141 -177.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.02 -55.17 18.03 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.191 -0.504 . . . . 0.0 110.66 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.477 ' HG ' HD23 ' A' ' 77' ' ' LEU . 34.3 tp -58.27 -41.94 85.44 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.988 -179.485 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -54.14 -52.23 61.76 Favored 'General case' 0 C--O 1.223 -0.328 0 O-C-N 123.422 0.451 . . . . 0.0 111.06 178.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -58.58 -41.1 84.97 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.618 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -69.41 -55.34 10.6 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.641 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.504 ' HA ' HD23 ' A' ' 18' ' ' LEU . 4.2 pp -59.58 -24.24 63.6 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 120.67 0.272 . . . . 0.0 111.662 -179.106 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.414 ' N ' HD12 ' A' ' 77' ' ' LEU . 14.7 mmtp -70.56 -15.51 62.78 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-O 121.16 0.505 . . . . 0.0 111.083 -177.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.446 ' HE ' ' HA ' ' A' ' 79' ' ' ARG . 2.9 tpm_? -83.36 -24.76 31.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.656 178.397 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.638 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 5.3 m -94.11 -9.38 36.75 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 178.258 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -48.75 90.88 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 113.819 -1.537 . . . . 0.0 111.24 176.286 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.681 ' O ' ' HB2' ' A' ' 86' ' ' GLU . 4.3 pp -162.62 157.35 21.84 Favored 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 107.664 -1.235 . . . . 0.0 107.664 178.041 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 79.43 146.85 0.09 Allowed 'General case' 0 C--N 1.32 -0.702 0 O-C-N 123.669 0.606 . . . . 0.0 111.565 179.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.5 mm -58.51 -39.49 75.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.294 -0.866 . . . . 0.0 113.074 -176.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -76.19 -50.75 13.68 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.416 -176.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.681 ' HB2' ' O ' ' A' ' 82' ' ' LEU . 22.4 mm-40 -56.77 -47.42 80.17 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.956 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.484 ' C ' ' HD3' ' A' ' 87' ' ' ARG . 0.9 OUTLIER -61.05 -43.57 98.69 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.091 0.472 . . . . 0.0 110.349 -178.194 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -64.41 -43.5 94.2 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.751 179.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -60.5 -49.38 77.79 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.953 -179.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.445 ' CD1' HD11 ' A' ' 19' ' ' ILE . 6.8 m-30 -54.91 -47.79 73.89 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.923 178.225 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -58.56 -41.19 85.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.795 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -68.41 -51.2 46.53 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.981 -177.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.49 -39.54 84.11 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.027 0.441 . . . . 0.0 110.608 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.727 ' O ' ' HG2' ' A' ' 98' ' ' LYS . 36.2 tt0 -62.25 -40.85 97.56 Favored 'General case' 0 C--O 1.217 -0.625 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.555 177.38 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.538 ' O ' HG13 ' A' ' 99' ' ' ILE . 98.1 m -60.79 -45.45 94.36 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.222 179.578 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 89.7 mt -70.33 -41.1 73.68 Favored 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.076 -177.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 10.5 p -61.07 -39.75 91.07 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 121.108 0.48 . . . . 0.0 111.057 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.727 ' HG2' ' O ' ' A' ' 94' ' ' GLN . 74.2 mmtt -63.33 -35.96 82.1 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.5 178.183 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.538 HG13 ' O ' ' A' ' 95' ' ' THR . 80.8 mt -63.29 -43.53 98.7 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-O 121.099 0.476 . . . . 0.0 110.003 177.334 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.516 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 94.0 mt -63.64 -45.39 90.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.966 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.16 -45.04 92.04 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.964 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm -62.76 -43.73 98.03 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.155 178.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -67.23 -33.36 75.19 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.628 -179.184 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.589 HD23 HD23 ' A' ' 33' ' ' LEU . 97.4 mt -61.04 -50.69 72.29 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 120.957 0.408 . . . . 0.0 109.974 176.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -63.48 -30.42 71.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.8 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -70.69 -39.81 73.28 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 177.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.432 HG23 HD22 ' A' ' 40' ' ' LEU . 57.0 m -68.11 -48.46 65.39 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.007 178.263 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.401 ' O ' HG12 ' A' ' 111' ' ' VAL . 27.9 tt0 -51.17 -48.02 62.0 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.197 0.522 . . . . 0.0 110.483 175.727 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -58.11 -41.91 84.61 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.252 178.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.64 -49.42 59.34 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-O 121.661 0.743 . . . . 0.0 111.115 -178.32 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.613 HG22 ' OE1' ' A' ' 52' ' ' GLN . 9.6 p -61.39 -43.41 96.64 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.643 -177.248 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.472 ' HA ' HE22 ' A' ' 52' ' ' GLN . 15.0 pttp -71.39 -18.6 62.35 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-O 120.761 0.315 . . . . 0.0 110.645 177.496 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -73.88 -22.62 59.66 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.06 178.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.491 HG22 HG23 ' A' ' 116' ' ' THR . 1.6 mp -73.12 121.87 24.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-O 121.371 0.605 . . . . 0.0 109.705 178.244 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -76.71 119.79 21.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.197 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.491 HG23 HG22 ' A' ' 114' ' ' ILE . 38.4 p -124.77 153.73 41.99 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.522 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.55 ' HB2' ' HD2' ' A' ' 49' ' ' LYS . 38.9 mt-30 . . . . . 0 C--O 1.241 0.623 0 CA-C-O 118.492 -0.766 . . . . 0.0 110.893 176.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 120.978 0.418 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -70.73 -35.9 72.92 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.36 -176.198 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -89.65 87.21 6.93 Favored 'General case' 0 C--N 1.315 -0.904 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.7 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -58.31 162.18 6.4 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.428 175.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -60.04 86.27 0.07 OUTLIER 'Trans proline' 0 CA--C 1.533 0.43 0 C-N-CA 122.781 2.32 . . . . 0.0 113.275 -178.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -56.98 119.65 6.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.945 177.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.563 ' HG2' ' H ' ' A' ' 8' ' ' ASP . 1.7 ttmp? -87.16 -165.09 1.2 Allowed 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.563 ' H ' ' HG2' ' A' ' 7' ' ' LYS . 25.6 t70 -68.67 166.37 17.42 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.595 0.235 . . . . 0.0 110.488 178.601 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -58.25 -39.35 78.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.037 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 55.1 t80 56.47 75.36 0.35 Allowed 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.697 -178.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.8 mmt180 -76.58 140.45 41.07 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.57 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -65.99 128.07 34.59 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 177.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.49 ' CD ' ' H ' ' A' ' 13' ' ' GLU . 1.6 pm0 -58.78 -45.33 90.06 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -177.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 42.8 t80 43.64 73.15 0.15 Allowed 'General case' 0 N--CA 1.469 0.479 0 O-C-N 124.008 0.817 . . . . 0.0 111.847 178.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -72.92 -20.36 61.09 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.055 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 71.9 t60 70.34 49.41 0.45 Allowed 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.811 177.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.554 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 4.5 mm? -99.83 173.82 6.5 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 175.138 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.3 mt -64.25 -73.9 0.11 Allowed 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 120.975 0.416 . . . . 0.0 111.41 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.482 HD11 ' CD1' ' A' ' 90' ' ' TYR . 39.7 mm -63.04 -25.21 38.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.705 -179.48 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.582 ' HA ' ' ND2' ' A' ' 23' ' ' ASN . 5.3 tp10 -62.23 -46.39 89.07 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.311 0.577 . . . . 0.0 110.427 178.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.445 ' HG3' ' O ' ' A' ' 17' ' ' LEU . 46.5 mt-30 -72.02 -25.95 62.02 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.519 179.522 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.61 -47.94 24.39 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.983 -178.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.582 ' ND2' ' HA ' ' A' ' 20' ' ' GLU . 6.9 p30 -66.68 -30.52 70.79 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.492 -178.272 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -71.0 -41.78 70.48 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.564 178.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.98 -47.59 79.8 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.409 HG12 ' HA ' ' A' ' 23' ' ' ASN . 33.9 pt -64.97 -31.99 56.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.177 -179.605 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -62.37 -46.25 89.5 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-O 121.202 0.525 . . . . 0.0 109.597 176.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -63.85 -39.63 94.67 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.007 177.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.95 -43.72 97.84 Favored Glycine 0 C--N 1.339 0.734 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.996 178.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -56.1 -46.01 79.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.445 0.641 . . . . 0.0 110.119 178.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 53.9 m170 -67.33 -47.36 70.73 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.826 -177.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.4 HE21 ' HB2' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -70.63 -26.43 63.48 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.457 -178.093 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.448 HD23 HD23 ' A' ' 104' ' ' LEU . 1.6 tm? -70.7 -50.19 39.04 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 178.365 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 pp -66.51 -25.52 66.73 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.464 0.65 . . . . 0.0 110.011 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 92.8 t80 -68.96 -56.98 6.15 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 114.959 -1.018 . . . . 0.0 110.351 178.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.8 mt -63.07 -30.93 71.98 Favored 'General case' 0 CA--C 1.522 -0.098 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.971 -178.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.434 ' HG3' ' O ' ' A' ' 33' ' ' LEU . 95.1 mt-30 -57.42 -38.26 74.08 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.084 0.469 . . . . 0.0 109.822 177.404 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 65.4 t-80 -64.96 -37.54 87.97 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.552 177.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -72.96 -40.54 65.26 Favored 'General case' 0 N--CA 1.441 -0.881 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.685 -178.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.0 tp -53.1 -43.48 66.87 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.462 173.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.432 ' HA ' ' OD1' ' A' ' 44' ' ' ASN . 19.6 t70 -58.06 -42.8 86.23 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.311 0.577 . . . . 0.0 110.53 177.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -67.3 -47.46 70.52 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.8 178.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.552 HD11 ' HA ' ' A' ' 52' ' ' GLN . 7.7 tt -55.5 -50.65 69.38 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.997 0.919 . . . . 0.0 112.213 -179.207 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.526 ' HA ' HG12 ' A' ' 114' ' ' ILE . 1.1 p-10 -62.83 -29.54 70.81 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-O 121.236 0.541 . . . . 0.0 111.752 -176.619 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -84.91 -42.11 15.31 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.86 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -75.94 -29.53 58.35 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 115.901 -0.59 . . . . 0.0 112.181 -177.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.475 ' HE3' ' O ' ' A' ' 44' ' ' ASN . 33.5 mmtp 55.32 15.62 1.43 Allowed 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 114.433 1.271 . . . . 0.0 114.433 179.035 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 66.2 m -69.03 123.52 21.25 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.593 ' O ' ' HB3' ' A' ' 52' ' ' GLN . 16.8 pttp -61.37 -46.21 91.16 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.5 0.72 . . . . 0.0 112.123 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.442 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 3.7 mt-10 -63.46 -42.12 98.63 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 120.483 0.182 . . . . 0.0 111.102 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 44.4 tp -60.84 -40.86 94.45 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 176.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.593 ' HB3' ' O ' ' A' ' 49' ' ' LYS . 6.8 tp60 -54.25 -50.7 66.6 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.614 177.32 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -59.43 -44.21 92.95 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.04 -178.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 43.6 mmtm -68.84 -44.54 73.19 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -178.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.5 mp -57.67 -49.61 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 CA-C-O 120.636 0.255 . . . . 0.0 111.137 -179.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 16.8 tt -66.95 -30.71 50.5 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.528 0 CA-C-O 121.013 0.435 . . . . 0.0 110.662 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.49 ' HD2' ' HA ' ' A' ' 57' ' ' ARG . 18.2 tpt85 -66.94 -52.65 40.38 Favored 'General case' 0 N--CA 1.426 -1.668 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.623 -178.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.408 ' O ' HG23 ' A' ' 62' ' ' VAL . 35.4 mt-10 -67.41 -32.08 72.72 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.421 -0.512 . . . . 0.0 111.105 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 46.2 tp -63.45 -44.6 94.03 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 121.027 0.441 . . . . 0.0 109.996 178.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.517 ' HA ' ' SG ' ' A' ' 63' ' ' CYS . 28.3 t70 -59.79 -43.46 94.41 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.278 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 66.4 t -62.59 -48.08 89.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.926 0.394 . . . . 0.0 111.477 178.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 58' ' ' GLU . 93.7 t -65.41 -42.5 93.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.918 -178.171 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.517 ' SG ' ' HA ' ' A' ' 60' ' ' ASP . 24.6 p -66.16 -32.41 73.83 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 119.985 -0.686 . . . . 0.0 110.554 -178.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.0 -51.75 55.52 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.371 177.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.462 ' HG3' HD12 ' A' ' 66' ' ' ILE . 22.9 ptp -63.12 -37.92 89.12 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.916 -178.425 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.48 ' O ' ' HB2' ' A' ' 70' ' ' GLN . 1.4 mp -65.25 -46.09 91.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.355 179.351 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -69.37 -35.76 76.15 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -178.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.61 -48.23 69.82 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.275 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.01 -37.91 78.96 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.48 ' HB2' ' O ' ' A' ' 66' ' ' ILE . 5.7 tt0 -60.18 -44.59 94.94 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-O 121.366 0.603 . . . . 0.0 109.727 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -68.94 -42.64 77.27 Favored Glycine 0 C--O 1.241 0.569 0 CA-C-N 115.052 -0.976 . . . . 0.0 112.86 -178.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.58 -54.35 29.08 Favored 'General case' 0 C--O 1.244 0.788 0 CA-C-O 121.112 0.482 . . . . 0.0 110.82 -177.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.496 ' HG ' HD23 ' A' ' 77' ' ' LEU . 35.0 tp -60.1 -40.22 88.9 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.298 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.565 ' OE2' HD11 ' A' ' 77' ' ' LEU . 1.6 mm-40 -54.48 -52.38 62.08 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.979 0.419 . . . . 0.0 110.939 179.245 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -57.4 -41.71 80.82 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.743 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -70.33 -56.18 7.35 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.761 -178.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.565 HD11 ' OE2' ' A' ' 74' ' ' GLU . 3.9 pp -60.09 -22.92 63.36 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -178.536 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.488 ' N ' HD12 ' A' ' 77' ' ' LEU . 30.5 mmtm -69.24 -11.38 60.75 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -178.662 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 73.2 ttt-85 -56.32 -49.05 75.45 Favored 'General case' 0 N--CA 1.46 0.068 0 CA-C-O 120.766 0.317 . . . . 0.0 111.115 -178.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 22.8 m -120.54 109.91 15.83 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -136.16 22.73 3.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.897 0.38 . . . . 0.0 110.373 -178.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.8 tp -79.58 -22.47 43.7 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-O 121.704 0.764 . . . . 0.0 111.527 -177.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.522 ' HB3' ' HG2' ' A' ' 86' ' ' GLU . 2.5 t30 -76.51 132.24 39.45 Favored 'General case' 0 C--N 1.277 -2.576 0 CA-C-N 114.86 -1.064 . . . . 0.0 111.048 -176.725 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 63.5 mt -56.34 -44.39 79.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -175.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.32 -44.07 84.43 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 -178.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.522 ' HG2' ' HB3' ' A' ' 83' ' ' ASN . 23.7 mm-40 -60.46 -40.65 91.94 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.587 -179.629 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 83' ' ' ASN . 33.6 mtp180 -57.67 -51.89 67.66 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-O 121.516 0.675 . . . . 0.0 110.245 177.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -60.14 -43.07 95.99 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 114.615 -1.175 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.73 -50.05 68.43 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.234 -178.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.482 ' CD1' HD11 ' A' ' 19' ' ' ILE . 10.2 m-30 -55.58 -49.64 72.2 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.856 177.684 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.56 -49.46 72.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.331 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -68.14 -40.56 82.41 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -177.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.83 -46.69 86.77 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 120.746 0.308 . . . . 0.0 110.549 -178.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.414 ' HA ' ' OG ' ' A' ' 97' ' ' SER . 6.0 tp-100 -65.62 -32.29 73.78 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.183 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.456 ' O ' HG13 ' A' ' 99' ' ' ILE . 86.7 m -61.39 -47.39 86.01 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.655 176.066 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 88.2 mt -68.45 -38.31 81.01 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.751 -0.204 . . . . 0.0 111.528 -178.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.478 ' HB2' ' OE1' ' A' ' 70' ' ' GLN . 11.5 p -61.5 -43.33 99.07 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 120.962 0.411 . . . . 0.0 111.168 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -61.66 -37.39 83.87 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.704 177.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 95' ' ' THR . 89.4 mt -63.83 -47.71 89.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 CA-C-O 121.091 0.472 . . . . 0.0 110.064 178.125 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 97.3 mt -61.3 -46.01 92.08 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.684 -179.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.426 ' O ' ' HD2' ' A' ' 105' ' ' LYS . 4.0 mm? -62.22 -41.16 98.13 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.835 179.293 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -56.39 -52.16 65.66 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 176.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.56 -37.01 82.27 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -179.64 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.448 HD23 HD23 ' A' ' 33' ' ' LEU . 97.3 mt -64.96 -50.72 65.27 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 118.202 0.455 . . . . 0.0 109.999 176.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.643 ' O ' ' HG3' ' A' ' 109' ' ' GLN . 1.0 OUTLIER -58.7 -34.38 71.23 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.086 178.178 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.558 ' O ' ' HD3' ' A' ' 110' ' ' LYS . 42.9 tt0 -66.58 -39.39 88.43 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.922 0.392 . . . . 0.0 110.098 177.197 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.483 ' O ' HG23 ' A' ' 111' ' ' VAL . 63.5 m -61.11 -53.92 51.06 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.534 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -55.37 -37.96 68.21 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 111.565 0.209 . . . . 0.0 111.565 178.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.643 ' HG3' ' O ' ' A' ' 105' ' ' LYS . 97.9 mt-30 -56.63 -47.82 78.85 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 120.872 0.368 . . . . 0.0 110.332 176.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.558 ' HD3' ' O ' ' A' ' 106' ' ' GLU . 12.7 mptt -68.01 -41.05 82.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.27 -178.35 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 107' ' ' THR . 80.9 t -57.47 -53.24 46.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.048 177.464 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -65.74 -20.37 66.25 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.321 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -71.99 -30.57 65.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.966 179.195 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.526 HG12 ' HA ' ' A' ' 44' ' ' ASN . 1.7 mp -72.82 119.26 19.31 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 CA-C-O 121.486 0.66 . . . . 0.0 110.642 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -74.89 123.82 25.77 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.627 176.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.478 HG23 HG22 ' A' ' 114' ' ' ILE . 34.0 p -126.01 157.15 38.61 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 178.427 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.52 ' HB2' ' HD3' ' A' ' 49' ' ' LYS . 14.8 mm100 . . . . . 0 C--N 1.323 -0.566 0 CA-C-O 118.666 -0.683 . . . . 0.0 111.395 177.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 . . . . . 0 N--CA 1.479 1.004 0 CA-C-O 120.736 0.303 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -65.89 -50.69 63.59 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.996 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -114.97 161.37 18.41 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.01 177.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -125.83 155.9 72.11 Favored Pre-proline 0 C--N 1.316 -0.865 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 -178.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -64.02 -103.58 0.0 OUTLIER 'Trans proline' 0 CA--C 1.548 1.176 0 C-N-CA 122.479 2.12 . . . . 0.0 113.423 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -102.51 179.01 4.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.019 -0.425 . . . . 0.0 110.685 177.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -73.14 -30.1 63.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.074 0.464 . . . . 0.0 111.196 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -94.35 -175.09 3.54 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.564 -176.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -101.62 26.49 7.3 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 -179.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 61.81 38.26 14.91 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 121.807 0.813 . . . . 0.0 108.841 -175.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -163.32 131.88 3.85 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-N 114.532 -1.213 . . . . 0.0 108.263 -176.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -101.23 139.54 36.76 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -67.76 -43.32 80.11 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.344 178.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 75.19 -23.94 0.23 Allowed 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 175.321 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -52.8 -60.7 2.94 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 -177.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 34.3 m80 52.48 37.49 22.99 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 123.404 0.44 . . . . 0.0 111.885 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -98.83 151.68 20.55 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.5 mt -59.73 -46.07 90.26 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.141 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.4 ' HA ' HD13 ' A' ' 19' ' ' ILE . 20.6 mm -68.12 -43.63 84.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.216 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.02 -42.7 76.87 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-O 120.941 0.4 . . . . 0.0 110.989 177.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -63.65 -50.96 67.25 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.418 178.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.74 -38.86 82.89 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.433 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -59.72 -36.34 76.36 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.586 179.259 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -70.0 -43.6 71.06 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.326 178.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.67 -44.17 87.11 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -178.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 36.8 pt -66.07 -37.13 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.114 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.995 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -62.91 -41.04 99.32 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 176.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -68.64 -47.22 67.15 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.521 ' O ' ' HG3' ' A' ' 32' ' ' GLN . . . -60.74 -42.9 99.6 Favored Glycine 0 C--O 1.224 -0.489 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.541 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.556 ' O ' HD23 ' A' ' 34' ' ' LEU . 28.7 tt0 -60.79 -44.39 96.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.224 0.535 . . . . 0.0 110.263 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -62.31 -44.19 97.08 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.003 -178.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.521 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -70.47 -23.62 62.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.814 179.812 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.49 HD11 ' OD1' ' A' ' 103' ' ' ASP . 2.5 tm? -68.79 -46.39 68.83 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 177.493 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.556 HD23 ' O ' ' A' ' 30' ' ' GLU . 4.1 mm? -64.93 -28.48 69.56 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.565 0.698 . . . . 0.0 109.469 177.211 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -69.51 -58.74 3.59 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.747 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.7 mt -63.79 -33.45 75.7 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.873 -178.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -58.42 -36.0 72.94 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 120.882 0.372 . . . . 0.0 110.069 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 18.1 m80 -68.78 -40.76 79.5 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.353 176.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -58.96 -41.82 88.41 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.742 176.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.1 tp -52.02 -47.61 64.91 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.876 173.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -57.32 -39.45 75.85 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.087 0.47 . . . . 0.0 110.699 178.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -67.31 -44.31 79.51 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.492 -0.777 . . . . 0.0 109.89 177.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 46.5 tp -54.69 -38.03 66.5 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.091 -0.959 . . . . 0.0 111.189 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -57.59 -36.01 71.17 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.232 0.539 . . . . 0.0 111.055 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -82.15 -46.65 13.51 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.157 -178.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -78.22 -36.71 46.82 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -175.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp 62.04 21.94 12.73 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 -174.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.7 t -64.29 116.83 6.42 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.294 -177.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.721 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -60.68 -37.59 82.11 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.415 176.357 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.437 ' CD ' ' HE2' ' A' ' 49' ' ' LYS . 5.2 mp0 -64.82 -45.29 86.81 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.722 178.484 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 49.4 tp -63.06 -40.02 96.46 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 177.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.13 -48.64 79.62 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.974 176.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -56.2 -49.68 73.38 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 123.777 0.831 . . . . 0.0 111.349 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.403 ' HE2' ' HB3' ' A' ' 54' ' ' LYS . 50.4 mtpt -62.41 -46.31 89.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.219 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.526 HG21 HG11 ' A' ' 111' ' ' VAL . 81.4 mt -61.75 -50.21 81.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.724 -178.683 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 22.7 mm -58.4 -46.16 89.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-O 120.825 0.345 . . . . 0.0 110.866 178.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 57' ' ' ARG . 1.6 mpt_? -67.42 -51.33 53.09 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -176.514 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.422 ' O ' HG23 ' A' ' 62' ' ' VAL . 44.3 mt-10 -70.01 -34.74 73.68 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 120.222 -0.591 . . . . 0.0 111.934 -178.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 23.5 tp -64.62 -46.31 83.13 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 178.23 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -60.94 -45.44 94.71 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.869 -179.008 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.409 HG22 ' HA ' ' A' ' 58' ' ' GLU . 31.2 m -64.52 -37.84 81.08 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.178 -178.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.497 HG11 ' NE2' ' A' ' 32' ' ' GLN . 91.2 t -70.27 -39.06 76.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 177.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.454 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 94.3 m -61.12 -41.96 97.66 Favored 'General case' 0 C--O 1.219 -0.511 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.036 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.62 -49.69 67.78 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.621 -178.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 22.5 ptp -66.63 -34.69 78.44 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.757 -179.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.4 mp -68.42 -43.9 83.75 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.581 177.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 63' ' ' CYS . 51.4 mt-10 -64.54 -34.54 78.47 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 121.226 0.536 . . . . 0.0 109.729 178.361 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.35 -45.86 82.81 Favored Glycine 0 N--CA 1.435 -1.41 0 CA-C-N 115.192 -0.913 . . . . 0.0 112.053 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.556 ' O ' ' HG ' ' A' ' 73' ' ' LEU . . . -72.02 -46.42 57.18 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.929 -0.136 . . . . 0.0 111.192 -179.59 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -60.79 -39.16 87.84 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-O 120.878 0.37 . . . . 0.0 110.159 -177.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -68.86 -41.59 82.04 Favored Glycine 0 C--O 1.239 0.424 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.036 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.56 -55.9 15.21 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.968 -0.616 . . . . 0.0 111.133 -178.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.649 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 4.3 pp -63.55 -35.28 79.97 Favored 'General case' 0 C--O 1.206 -1.206 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.571 -178.619 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.487 ' N ' HD12 ' A' ' 73' ' ' LEU . 9.3 tp10 -56.27 -53.39 57.75 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 121.318 0.58 . . . . 0.0 110.287 178.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 -60.89 -38.93 87.39 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.079 -179.175 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -73.6 -54.9 7.09 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.393 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.649 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 3.9 pp -58.51 -24.38 60.38 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -178.703 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.454 ' N ' HD12 ' A' ' 77' ' ' LEU . 12.0 mmtp -70.78 -20.06 62.64 Favored 'General case' 0 N--CA 1.437 -1.121 0 C-N-CA 119.897 -0.721 . . . . 0.0 111.487 -177.169 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -88.05 -35.23 17.65 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.24 178.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 21.4 p -78.03 -3.36 41.74 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.96 -178.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -66.67 116.2 7.34 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-O 120.77 0.319 . . . . 0.0 111.203 178.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.542 ' O ' ' HB2' ' A' ' 83' ' ' ASN . 0.6 OUTLIER -156.02 72.41 0.77 Allowed 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 175.341 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.542 ' HB2' ' O ' ' A' ' 82' ' ' LEU . 10.6 t-20 167.3 136.66 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.178 -177.634 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 50.4 mm -58.29 -35.77 55.04 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.554 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 54.8 tp -70.58 -50.19 39.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.284 -178.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.17 -37.86 78.39 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.212 179.244 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 18.8 tpp85 -57.36 -49.75 75.17 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.252 0.549 . . . . 0.0 109.751 177.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -61.49 -44.35 97.23 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.58 179.09 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -58.79 -52.83 64.02 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.938 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.4 ' CD2' HD13 ' A' ' 77' ' ' LEU . 8.6 m-30 -55.52 -54.25 46.3 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.269 179.112 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.78 -37.94 80.48 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.319 -179.248 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -66.49 -47.18 73.85 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.556 178.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.2 -41.0 87.5 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 120.89 0.376 . . . . 0.0 110.518 178.304 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.523 ' O ' ' HG2' ' A' ' 98' ' ' LYS . 34.6 tt0 -61.0 -40.79 94.88 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.823 177.498 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.512 ' HA ' ' HE2' ' A' ' 98' ' ' LYS . 79.9 m -60.7 -50.2 74.44 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.107 178.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.428 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 86.9 mt -68.54 -40.12 80.82 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.27 -176.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.472 ' O ' HD23 ' A' ' 101' ' ' LEU . 16.6 p -60.74 -49.72 76.36 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -177.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' A' ' 94' ' ' GLN . 59.1 pttt -65.64 -30.46 71.17 Favored 'General case' 0 C--N 1.338 0.09 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.215 -178.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 95' ' ' THR . 74.8 mt -64.37 -43.06 97.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-O 121.145 0.498 . . . . 0.0 109.698 175.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 96' ' ' LEU . 94.2 mt -62.17 -44.36 96.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.361 179.241 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.472 HD23 ' O ' ' A' ' 97' ' ' SER . 4.3 mm? -55.98 -40.29 73.07 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.711 178.131 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 98' ' ' LYS . 51.3 mtmt -67.85 -35.89 79.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.403 179.28 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.49 ' OD1' HD11 ' A' ' 33' ' ' LEU . 4.6 t70 -70.51 -35.49 73.23 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.055 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 11.0 mp -63.95 -43.67 95.13 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 176.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.561 ' HA ' ' HG2' ' A' ' 108' ' ' GLU . 73.3 mmtt -63.24 -30.26 71.44 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.646 178.261 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -68.06 -40.72 82.73 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 176.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 26.1 m -65.74 -53.91 34.26 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.584 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.561 ' HG2' ' HA ' ' A' ' 105' ' ' LYS . 9.3 pt-20 -56.38 -37.29 69.88 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.343 178.427 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -57.17 -49.61 75.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.01 0.433 . . . . 0.0 110.737 177.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 35.5 mttp -64.19 -40.86 96.99 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -177.062 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.526 HG11 HG21 ' A' ' 55' ' ' ILE . 32.5 m -66.11 -34.92 73.44 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 C-N-CA 120.33 -0.548 . . . . 0.0 109.859 179.114 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -72.36 -18.13 61.77 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.727 175.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -76.21 -28.66 57.3 Favored 'General case' 0 CA--C 1.506 -0.714 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.717 177.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.7 mp -76.4 112.07 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.133 0.492 . . . . 0.0 110.083 176.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -69.01 126.41 29.72 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.655 176.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 36.8 p -116.47 175.72 5.43 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.341 -178.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 . . . . . 0 C--O 1.253 1.289 0 O-C-N 124.173 0.921 . . . . 0.0 111.603 179.791 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 . . . . . 0 N--CA 1.483 1.224 0 CA-C-O 120.821 0.343 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 21.8 mp0 -63.15 141.31 58.81 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.124 -178.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -106.98 104.37 14.02 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 177.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.429 ' HD2' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -73.96 144.92 83.1 Favored Pre-proline 0 C--N 1.317 -0.823 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.7 -177.605 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -76.43 81.23 2.54 Favored 'Trans proline' 0 N--CA 1.452 -0.953 0 C-N-CA 122.514 2.143 . . . . 0.0 110.863 175.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.525 ' HG3' ' HD3' ' A' ' 7' ' ' LYS . 2.1 tppp? -100.35 169.42 9.12 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 -176.243 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.607 ' HD3' ' H ' ' A' ' 7' ' ' LYS . 0.2 OUTLIER -79.34 80.74 5.68 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 121.326 0.584 . . . . 0.0 111.539 -179.239 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -166.01 174.23 9.63 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.29 0.567 . . . . 0.0 112.144 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -68.19 -12.65 61.32 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -175.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -75.09 140.76 43.68 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.092 -0.643 . . . . 0.0 110.432 -178.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -154.22 161.69 41.66 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.914 -0.772 . . . . 0.0 108.914 -177.586 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -84.91 155.85 21.49 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.888 -179.044 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -131.44 -81.64 0.52 Allowed 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.708 -178.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -85.77 23.95 1.33 Allowed 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.944 0.402 . . . . 0.0 111.665 -176.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -72.3 -20.73 61.45 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.876 178.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.443 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 46.6 m-70 -93.4 -179.83 5.17 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 177.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.484 HD23 ' HB2' ' A' ' 20' ' ' GLU . 19.1 tp 177.19 109.63 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 178.269 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.659 HD13 ' HA ' ' A' ' 77' ' ' LEU . 16.1 mt -55.78 -55.71 29.09 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.926 -177.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.553 HD11 ' CD1' ' A' ' 90' ' ' TYR . 14.7 mm -57.91 -35.3 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.347 179.036 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.484 ' HB2' HD23 ' A' ' 17' ' ' LEU . 16.1 tp10 -59.12 -47.4 85.4 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.758 -179.573 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -72.8 -25.76 61.27 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 121.038 0.447 . . . . 0.0 111.292 -178.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.34 -45.08 41.73 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 121.497 0.665 . . . . 0.0 109.278 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -64.49 -29.85 70.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.453 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -74.66 -45.34 45.32 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.539 178.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.73 -45.69 92.86 Favored 'General case' 0 CA--C 1.523 -0.091 0 N-CA-C 111.622 0.23 . . . . 0.0 111.622 179.248 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.5 pt -66.5 -32.37 57.74 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.173 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.572 179.347 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -61.72 -46.42 89.75 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 175.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -63.46 -44.99 92.9 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.014 178.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.62 -44.18 97.07 Favored Glycine 0 C--O 1.221 -0.666 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.357 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.456 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 36.0 tt0 -60.14 -44.86 94.62 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.302 0.572 . . . . 0.0 110.565 -179.269 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -65.79 -49.99 66.32 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.114 -178.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -66.93 -29.71 69.66 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.037 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.718 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 2.0 tm? -68.43 -50.09 55.25 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 177.517 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 30' ' ' GLU . 98.7 mt -64.31 -35.95 82.54 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.955 0.407 . . . . 0.0 110.502 -177.761 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -66.3 -49.4 67.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.523 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.4 ' O ' HD23 ' A' ' 36' ' ' LEU . 3.4 tt -62.96 -31.12 72.16 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.822 -179.268 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.718 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 14.2 mm-40 -58.16 -33.14 68.88 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.054 0.455 . . . . 0.0 110.266 177.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -71.81 -31.76 66.89 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.226 179.267 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.438 ' O ' ' HB3' ' A' ' 42' ' ' GLU . 28.1 mm-40 -72.28 -41.36 66.76 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.132 0.491 . . . . 0.0 110.285 178.068 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -52.01 -46.29 64.89 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.549 174.328 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -58.57 -41.27 85.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.085 178.02 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.438 ' HB3' ' O ' ' A' ' 39' ' ' GLN . 4.7 tp10 -61.45 -43.39 98.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.898 179.301 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.421 ' CD2' HG23 ' A' ' 111' ' ' VAL . 48.5 tp -64.73 -31.61 72.92 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 120.769 0.318 . . . . 0.0 111.021 -177.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -60.26 -38.21 82.8 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -88.14 -40.65 13.58 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.607 -178.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.459 ' OD1' ' HB2' ' A' ' 48' ' ' SER . 4.7 t-20 -74.66 -36.36 62.83 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -176.047 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.443 ' O ' HG22 ' A' ' 116' ' ' THR . 0.1 OUTLIER 55.0 16.59 1.55 Allowed 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -177.308 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.459 ' HB2' ' OD1' ' A' ' 46' ' ' ASN . 31.2 t -67.63 128.21 35.62 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 179.045 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.653 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -64.27 -41.55 96.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.924 176.115 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.512 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 42.2 mt-10 -62.38 -42.94 99.8 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.56 177.185 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 38.8 tp -62.04 -39.5 92.54 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 177.008 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.549 ' HB3' ' O ' ' A' ' 49' ' ' LYS . 2.9 tp-100 -53.76 -50.75 65.35 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.229 175.055 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.527 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 14.6 mm-40 -59.28 -50.35 74.33 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.177 -179.096 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.512 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 32.4 mmtp -62.25 -43.95 97.67 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.659 0.266 . . . . 0.0 110.844 -178.507 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 63.4 mt -61.88 -50.67 79.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.533 -179.165 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 15.0 tt -69.12 -33.86 60.64 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.364 -178.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.527 ' HB2' ' O ' ' A' ' 53' ' ' GLU . 0.6 OUTLIER -67.91 -48.78 65.02 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.006 -179.672 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -68.22 -32.67 73.05 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.456 178.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 48.6 tp -61.58 -47.61 84.7 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 177.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -64.0 -49.57 71.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.432 -0.803 . . . . 0.0 112.611 -177.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 34.5 m -61.84 -39.04 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.692 -177.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 98.0 t -72.35 -37.01 56.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 178.338 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 47.8 t -63.15 -43.95 96.89 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.263 178.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.53 -49.26 67.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.604 -177.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 21.2 ptp -61.34 -35.86 78.58 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.401 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.3 mp -68.94 -40.85 81.55 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.79 178.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -64.57 -40.38 95.46 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 120.888 0.375 . . . . 0.0 110.494 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.02 -48.19 61.43 Favored Glycine 0 N--CA 1.444 -0.822 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.62 -179.023 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.16 -39.5 82.59 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.588 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 27.0 tt0 -60.72 -42.76 97.91 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-O 121.135 0.493 . . . . 0.0 109.717 179.466 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.8 -41.13 93.78 Favored Glycine 0 C--O 1.241 0.54 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.983 -178.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.65 -56.7 9.46 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.13 0.491 . . . . 0.0 110.309 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.552 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 57.0 tp -56.32 -43.64 79.18 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.397 -179.461 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.588 ' HB2' ' O ' ' A' ' 70' ' ' GLN . 1.8 tm-20 -54.16 -51.4 64.46 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.228 0.537 . . . . 0.0 110.49 179.48 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -59.65 -41.95 91.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.002 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -70.5 -54.4 12.37 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -178.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.659 ' HA ' HD13 ' A' ' 18' ' ' LEU . 3.6 pp -56.83 -22.63 37.98 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.458 ' N ' HD12 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -66.63 -9.65 37.91 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -178.395 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 15.7 mmm-85 -60.2 -34.34 73.5 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.842 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.8 t -138.02 107.03 5.99 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.014 0.435 . . . . 0.0 111.303 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -136.83 11.35 3.13 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.06 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.566 ' O ' ' HB2' ' A' ' 83' ' ' ASN . 1.0 OUTLIER -91.78 108.52 19.97 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -178.198 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.566 ' HB2' ' O ' ' A' ' 82' ' ' LEU . 20.6 t-20 157.24 145.27 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.713 0 O-C-N 124.267 0.979 . . . . 0.0 108.701 -176.176 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 61.3 mt -60.42 -44.71 96.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -179.274 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.7 tt -72.93 -45.03 60.36 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 -178.093 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.467 ' HB2' ' HB3' ' A' ' 83' ' ' ASN . 45.0 mt-10 -59.98 -40.57 89.58 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.287 179.007 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.4 tpp180 -54.15 -52.51 60.91 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 120.999 0.428 . . . . 0.0 110.286 176.316 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -60.77 -50.29 74.06 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.867 -178.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -60.54 -53.98 50.94 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -177.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.553 ' CD1' HD11 ' A' ' 19' ' ' ILE . 4.6 m-85 -55.33 -51.48 66.62 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.956 0.407 . . . . 0.0 111.396 179.125 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -55.28 -50.72 68.8 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.904 179.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.75 -44.49 89.93 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.168 -176.561 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.59 -43.02 98.17 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-O 121.092 0.473 . . . . 0.0 110.769 -178.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -66.79 -35.71 80.7 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.835 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.428 ' O ' HG13 ' A' ' 99' ' ' ILE . 90.1 m -56.84 -44.1 81.78 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.224 176.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 86.0 mt -69.2 -34.52 75.02 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.023 -179.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.424 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 37.2 m -57.17 -51.38 69.56 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.629 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -62.51 -37.16 84.96 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.679 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 95' ' ' THR . 81.0 mt -65.63 -46.49 89.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.939 0.399 . . . . 0.0 110.456 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 95.5 mt -61.47 -45.61 93.53 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.108 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 97' ' ' SER . 97.1 mt -63.56 -40.33 96.71 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.707 179.522 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.426 ' C ' ' HD2' ' A' ' 102' ' ' LYS . 5.4 tmmm? -65.47 -43.87 88.93 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.469 179.456 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -69.31 -34.32 74.48 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 -178.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 29.3 tp -63.39 -45.98 88.54 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.138 0.494 . . . . 0.0 109.862 177.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -60.64 -29.43 69.26 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.443 176.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.591 ' O ' ' HG2' ' A' ' 110' ' ' LYS . 0.7 OUTLIER -66.62 -36.67 83.14 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 176.243 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 10.0 m -65.46 -47.08 77.33 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 177.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -51.2 -47.42 62.25 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.388 0.613 . . . . 0.0 109.941 175.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.552 ' HA ' ' HE2' ' A' ' 112' ' ' LYS . 21.0 tt0 -61.04 -42.4 98.4 Favored 'General case' 0 N--CA 1.437 -1.108 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.744 178.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.591 ' HG2' ' O ' ' A' ' 106' ' ' GLU . 11.6 mmpt? -65.09 -48.06 75.03 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.864 0.364 . . . . 0.0 111.616 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.421 HG23 ' CD2' ' A' ' 43' ' ' LEU . 9.7 p -63.24 -43.04 98.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 -178.187 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.552 ' HE2' ' HA ' ' A' ' 109' ' ' GLN . 43.0 pttt -74.05 -15.29 61.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.921 0.391 . . . . 0.0 110.948 178.784 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -78.55 -27.38 45.84 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.976 177.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.5 mp -73.15 121.0 22.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 CA-C-O 121.414 0.626 . . . . 0.0 110.84 178.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -77.1 118.91 20.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.389 176.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.443 HG22 ' O ' ' A' ' 47' ' ' LYS . 3.0 p -122.38 -165.99 1.36 Allowed 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 178.299 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.521 ' HB3' ' HD2' ' A' ' 49' ' ' LYS . 19.5 tp60 . . . . . 0 C--O 1.247 0.948 0 CA-C-O 118.605 -0.712 . . . . 0.0 109.801 178.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 . . . . . 0 N--CA 1.472 0.653 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -87.59 139.87 30.09 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 178.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -75.63 72.12 2.57 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.561 0.696 . . . . 0.0 110.779 179.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -121.53 139.42 29.79 Favored Pre-proline 0 C--N 1.315 -0.894 0 CA-C-N 115.041 -0.981 . . . . 0.0 112.023 -178.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -79.63 38.66 0.75 Allowed 'Trans proline' 0 CA--C 1.533 0.463 0 C-N-CA 123.479 2.786 . . . . 0.0 110.608 175.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.4 ttmm -59.66 -58.62 7.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.761 0.315 . . . . 0.0 111.287 -177.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -173.95 166.43 4.32 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -58.85 126.07 26.16 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 178.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -71.99 -25.34 61.81 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.224 0.535 . . . . 0.0 110.243 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -68.62 118.14 11.25 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.038 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 63.5 mtm180 -113.67 100.64 8.63 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.232 -177.016 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -127.83 114.68 17.54 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.604 178.068 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -60.15 -53.46 57.43 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 -178.081 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -162.65 142.85 9.57 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 178.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -53.97 -57.71 9.99 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 120.8 0.334 . . . . 0.0 111.685 -177.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -162.77 156.54 20.44 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.47 ' HB3' ' HG2' ' A' ' 20' ' ' GLU . 2.0 tt 173.64 109.22 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -175.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.483 HD12 ' N ' ' A' ' 19' ' ' ILE . 0.9 OUTLIER -54.32 -35.66 62.92 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 -175.761 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.619 HD11 ' HD1' ' A' ' 90' ' ' TYR . 8.5 mm -69.53 -39.44 78.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 C-N-CA 120.482 -0.487 . . . . 0.0 111.141 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.47 ' HG2' ' HB3' ' A' ' 17' ' ' LEU . 5.6 mm-40 -67.5 -29.41 68.83 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.014 0.435 . . . . 0.0 110.249 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' A' ' 17' ' ' LEU . 28.2 mm-40 -67.81 -39.91 83.89 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.692 177.555 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.08 -37.73 57.87 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 121.707 0.765 . . . . 0.0 110.101 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -62.56 -35.36 79.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.609 -1.178 . . . . 0.0 109.694 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -69.72 -42.71 73.63 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.049 177.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.98 -45.83 93.21 Favored 'General case' 0 C--O 1.225 -0.202 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 35.0 pt -64.23 -37.82 80.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.999 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -60.84 -42.03 96.97 Favored 'General case' 0 C--O 1.245 0.861 0 CA-C-O 121.471 0.653 . . . . 0.0 109.316 176.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -65.83 -51.23 60.62 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.465 177.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.32 -44.41 89.56 Favored Glycine 0 C--O 1.224 -0.517 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.856 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -59.18 -43.32 92.15 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.183 0.516 . . . . 0.0 110.351 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.431 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 2.0 t60 -69.23 -47.49 64.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.839 -177.474 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.416 HE21 ' HB2' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -70.72 -28.66 64.9 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.364 -178.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.462 HD23 HD23 ' A' ' 104' ' ' LEU . 1.9 tm? -65.77 -48.57 71.39 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 176.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 31' ' ' HIS . 4.6 pp -67.03 -28.1 67.94 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.531 -0.467 . . . . 0.0 110.511 -179.066 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -67.79 -57.65 5.94 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.594 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -63.31 -31.2 72.29 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.106 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -62.82 -36.98 84.95 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 121.203 0.525 . . . . 0.0 109.76 178.074 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 48.5 t60 -65.76 -46.63 78.09 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 175.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -55.54 -44.39 76.68 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.516 176.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 31.6 tp -50.94 -48.86 60.72 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 123.413 0.685 . . . . 0.0 111.277 176.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -57.3 -41.56 80.07 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.805 0.336 . . . . 0.0 110.742 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -66.15 -43.3 87.4 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.515 0.674 . . . . 0.0 109.337 178.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.9 tp -56.64 -39.27 73.39 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.944 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.532 ' O ' ' HE3' ' A' ' 47' ' ' LYS . 63.1 m-20 -57.59 -36.41 71.7 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.07 0.462 . . . . 0.0 111.013 178.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -82.87 -45.58 14.07 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.546 -178.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.501 ' HB3' ' OG ' ' A' ' 48' ' ' SER . 4.3 m-20 -76.25 -37.01 58.21 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -174.343 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.532 ' HE3' ' O ' ' A' ' 44' ' ' ASN . 31.3 mmtp 56.64 22.7 7.0 Favored 'General case' 0 N--CA 1.489 1.475 0 CA-C-O 121.627 0.727 . . . . 0.0 109.617 -175.461 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.501 ' OG ' ' HB3' ' A' ' 46' ' ' ASN . 39.7 m -67.36 116.9 8.63 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.401 -177.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.592 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 0.2 OUTLIER -59.38 -44.44 92.77 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.914 -178.864 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -64.52 -34.46 78.28 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.03 178.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.438 ' HB3' ' HB2' ' A' ' 48' ' ' SER . 53.6 tp -67.07 -43.44 82.64 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 178.34 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -57.53 -46.65 83.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.86 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.592 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 17.2 mm-40 -60.16 -45.78 91.93 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.195 -177.652 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.2 mtmm -62.58 -43.7 98.15 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.895 0.378 . . . . 0.0 110.535 178.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 76.7 mt -61.95 -48.76 87.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.939 -178.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 69.0 mt -63.23 -41.79 94.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.28 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -69.12 -42.41 76.11 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -177.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.467 ' HA ' HG12 ' A' ' 61' ' ' VAL . 38.7 tt0 -72.53 -37.67 68.26 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.413 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.5 tp -62.21 -45.2 94.42 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -65.26 -46.73 79.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.994 -178.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.467 HG12 ' HA ' ' A' ' 58' ' ' GLU . 12.1 p -64.02 -37.66 80.38 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.218 -178.317 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 95.6 t -72.69 -37.03 54.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 177.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.485 ' SG ' ' HE3' ' A' ' 105' ' ' LYS . 44.6 t -64.3 -39.24 93.52 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 178.384 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.38 -44.12 79.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.283 -178.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.468 ' HG3' HD12 ' A' ' 66' ' ' ILE . 22.9 ptp -67.7 -36.65 81.04 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.138 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.468 HD12 ' HG3' ' A' ' 65' ' ' MET . 1.5 mp -67.89 -40.34 83.34 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.374 176.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -63.13 -39.07 93.6 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 121.098 0.475 . . . . 0.0 110.021 177.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.33 -44.71 93.08 Favored Glycine 0 N--CA 1.445 -0.764 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.051 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.19 -40.95 86.62 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 115.722 -0.239 . . . . 0.0 110.396 179.031 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -60.36 -43.63 96.33 Favored 'General case' 0 C--O 1.226 -0.15 0 CA-C-O 121.09 0.472 . . . . 0.0 110.534 179.072 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -64.26 -45.26 94.0 Favored Glycine 0 C--O 1.248 1.017 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.005 -179.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.82 -55.38 15.11 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.243 -0.478 . . . . 0.0 110.093 -179.107 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.64 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 36.8 mt -50.97 -54.82 20.99 Favored 'General case' 0 CA--C 1.5 -0.959 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.96 179.539 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.546 ' O ' ' HB2' ' A' ' 78' ' ' LYS . 8.7 mt-10 -53.96 -48.38 70.37 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 123.507 0.504 . . . . 0.0 112.213 -176.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 48.3 ttp180 -58.18 -43.64 87.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.762 0.315 . . . . 0.0 110.539 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -72.44 -56.55 5.24 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.235 -177.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.64 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 4.2 pp -62.25 -27.64 69.14 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -177.598 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.546 ' HB2' ' O ' ' A' ' 74' ' ' GLU . 0.6 OUTLIER -65.08 -27.5 68.82 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-O 121.124 0.488 . . . . 0.0 110.621 -176.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 -60.53 -29.88 69.4 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.148 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 20.6 m -67.05 135.99 54.53 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.517 -178.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -141.34 173.82 11.13 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.281 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.434 ' O ' ' HB2' ' A' ' 83' ' ' ASN . 0.9 OUTLIER 59.66 74.49 0.44 Allowed 'General case' 0 C--O 1.239 0.507 0 CA-C-N 115.078 -0.964 . . . . 0.0 112.322 179.226 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' ' 82' ' ' LEU . 9.7 t-20 177.5 105.38 0.02 OUTLIER 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.046 174.704 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 76.4 mt -56.61 -33.88 40.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.883 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -72.4 -50.93 22.81 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 -177.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -58.56 -44.93 89.87 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.582 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -61.85 -39.57 92.34 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 120.379 -0.528 . . . . 0.0 111.31 -179.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -67.05 -42.49 84.71 Favored 'General case' 0 N--CA 1.457 -0.087 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.548 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.96 -42.08 99.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.288 178.788 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.619 ' HD1' HD11 ' A' ' 19' ' ' ILE . 8.3 m-30 -54.38 -54.25 43.15 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.426 175.56 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -58.7 -41.11 85.52 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.6 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.8 tm-20 -70.03 -45.23 67.64 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.71 -177.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.79 -47.4 85.3 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -57.67 -37.73 73.91 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.291 178.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.498 ' O ' HD13 ' A' ' 99' ' ' ILE . 94.5 m -56.48 -48.34 77.34 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.35 177.672 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.472 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 85.1 mt -72.19 -40.46 67.89 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.127 -178.638 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 49.5 m -53.7 -52.53 59.76 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.209 179.035 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -60.86 -41.98 96.94 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.414 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.498 HD13 ' O ' ' A' ' 95' ' ' THR . 1.5 mp -59.82 -42.77 90.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-O 120.748 0.309 . . . . 0.0 110.524 178.326 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 96' ' ' LEU . 97.8 mt -63.65 -46.85 83.77 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.183 179.181 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 95.5 mt -58.91 -44.06 91.21 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.365 179.128 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -57.42 -53.39 58.66 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.945 176.038 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.87 -36.59 70.27 Favored 'General case' 0 C--O 1.241 0.634 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.462 HD23 HD23 ' A' ' 33' ' ' LEU . 96.2 mt -62.72 -50.77 69.82 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 121.014 0.435 . . . . 0.0 110.149 177.02 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.485 ' HE3' ' SG ' ' A' ' 63' ' ' CYS . 0.7 OUTLIER -62.74 -31.83 72.85 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.365 179.061 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -62.19 -42.68 99.51 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 176.214 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 35.6 m -64.24 -48.65 74.99 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.652 178.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.471 ' HG2' ' HD2' ' A' ' 112' ' ' LYS . 25.5 tt0 -51.74 -53.71 36.47 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.397 0.679 . . . . 0.0 111.261 177.347 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -56.21 -40.16 73.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.806 0.336 . . . . 0.0 111.253 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -68.98 -42.66 76.26 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -178.077 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 108' ' ' GLU . 33.7 m -66.51 -38.02 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 CA-C-O 120.975 0.417 . . . . 0.0 110.118 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.471 ' HD2' ' HG2' ' A' ' 108' ' ' GLU . 4.8 mtpm? -64.7 -35.62 81.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.417 176.372 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.59 -23.14 58.69 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.686 -177.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -74.69 142.52 14.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 CA-C-O 121.302 0.572 . . . . 0.0 111.169 -179.202 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -68.57 162.01 26.73 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.236 177.243 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.4 p -153.09 140.92 20.11 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.266 -177.014 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 . . . . . 0 C--N 1.313 -1.021 0 CA-C-O 118.733 -0.651 . . . . 0.0 111.783 -178.012 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 . . . . . 0 N--CA 1.477 0.876 0 N-CA-C 110.903 -0.036 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 60.54 77.65 0.31 Allowed 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 120.922 0.392 . . . . 0.0 110.884 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 76.3 m-70 -86.05 79.49 9.15 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.248 -178.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -60.24 149.2 76.72 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.52 173.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -78.01 -165.29 0.32 Allowed 'Trans proline' 0 C--O 1.237 0.435 0 C-N-CA 122.654 2.236 . . . . 0.0 111.85 179.088 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.491 ' HB2' ' NZ ' ' A' ' 6' ' ' LYS . 3.3 ttmp? -81.18 90.56 6.07 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 121.25 0.548 . . . . 0.0 109.78 177.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.55 ' HG2' ' H ' ' A' ' 8' ' ' ASP . 46.4 tttp -160.87 -175.4 4.91 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 -178.101 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.55 ' H ' ' HG2' ' A' ' 7' ' ' LYS . 1.6 m-20 -51.19 135.26 26.26 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 122.825 0.45 . . . . 0.0 110.061 177.717 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -79.56 -33.54 41.74 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.016 0.436 . . . . 0.0 110.844 -176.229 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -100.39 -143.93 0.34 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.547 -178.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.71 169.3 9.12 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 178.612 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -78.44 20.79 0.4 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.938 0.399 . . . . 0.0 111.339 -179.335 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -83.61 34.28 0.48 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.27 0.557 . . . . 0.0 110.833 -178.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -92.17 68.85 5.18 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.187 -177.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -74.96 -36.07 62.07 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.213 0.53 . . . . 0.0 110.281 177.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 34.6 m-70 -127.3 75.54 1.59 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.681 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.469 ' O ' HD23 ' A' ' 17' ' ' LEU . 8.7 tt -99.22 -29.0 13.08 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 176.455 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.602 HD21 ' HB ' ' A' ' 80' ' ' THR . 6.4 mp -54.95 -46.58 75.02 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.339 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 32.0 mm -63.99 -37.21 79.2 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.98 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.021 178.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -56.49 -47.77 78.58 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 120.967 0.413 . . . . 0.0 110.753 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -68.04 -36.83 80.55 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.899 -178.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.49 -41.47 55.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.681 0.753 . . . . 0.0 110.237 -178.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.543 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 56.4 t30 -63.51 -39.39 94.3 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.443 -1.253 . . . . 0.0 110.283 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 -72.38 -33.96 67.6 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 120.171 -0.612 . . . . 0.0 110.944 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.99 -43.18 99.51 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 121.158 -0.217 . . . . 0.0 111.25 178.42 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 31.4 pt -68.23 -31.84 53.26 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.125 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.844 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.543 ' HG3' ' O ' ' A' ' 23' ' ' ASN . 50.8 mt-10 -62.74 -40.57 97.64 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.282 0.563 . . . . 0.0 109.584 174.638 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -65.96 -44.8 83.91 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.317 178.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.96 -39.82 96.1 Favored Glycine 0 C--O 1.22 -0.764 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.033 177.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -58.42 -45.25 88.82 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.144 0.497 . . . . 0.0 110.625 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -67.23 -43.97 80.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.043 -177.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -73.83 -28.49 61.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.928 -177.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.443 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 1.6 tm? -65.51 -49.1 70.24 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 176.577 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.6 mt -65.45 -26.97 68.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.559 0.695 . . . . 0.0 109.76 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -67.18 -58.05 5.58 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.181 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -64.34 -31.22 72.34 Favored 'General case' 0 C--N 1.34 0.162 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.864 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.443 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 19.6 mm-40 -59.9 -37.28 78.98 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 121.227 0.537 . . . . 0.0 110.026 178.146 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -69.15 -35.03 75.9 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.185 178.046 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.461 ' HA ' ' OE1' ' A' ' 39' ' ' GLN . 11.0 mm-40 -67.51 -44.29 78.79 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-O 121.196 0.522 . . . . 0.0 109.667 179.097 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.8 tp -50.98 -45.64 61.06 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.727 176.323 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -58.81 -46.53 87.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.743 178.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -63.64 -40.81 97.81 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.88 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.0 tp -63.95 -31.9 73.25 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 120.625 0.25 . . . . 0.0 110.604 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -59.15 -31.52 69.04 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.039 178.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -83.58 -47.18 11.56 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.893 177.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -74.83 -37.94 62.15 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 121.166 0.508 . . . . 0.0 110.864 -175.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.444 ' O ' HG22 ' A' ' 116' ' ' THR . 0.1 OUTLIER 59.68 22.01 10.74 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.955 -179.044 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.6 t -71.32 129.61 39.3 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 121.128 0.49 . . . . 0.0 112.172 -176.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.413 ' HG3' ' H ' ' A' ' 50' ' ' GLU . 34.7 pttt -58.22 -47.84 82.24 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.641 175.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.443 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 35.6 mt-10 -60.9 -49.91 75.53 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.973 -178.515 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 56.1 tp -61.04 -40.84 95.14 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.219 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -58.41 -48.46 80.59 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.648 178.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -64.24 -42.52 96.5 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.952 -178.078 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 8.4 mtpm? -64.56 -42.98 95.32 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 120.719 0.295 . . . . 0.0 110.404 178.487 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 71.6 mt -62.77 -53.69 43.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.486 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 16.2 tt -65.92 -32.79 59.7 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -177.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -68.46 -47.81 66.15 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.965 178.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -65.8 -36.18 82.78 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.001 0.429 . . . . 0.0 110.303 178.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 38.4 tp -61.64 -49.73 75.36 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.338 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -64.15 -45.75 87.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.084 -177.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 33.5 m -63.22 -38.1 81.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 C-N-CA 120.659 -0.416 . . . . 0.0 111.639 -178.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.418 ' HA ' ' HG2' ' A' ' 65' ' ' MET . 92.8 t -73.18 -37.87 53.39 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 178.266 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.433 ' O ' ' HB2' ' A' ' 67' ' ' GLU . 42.4 t -62.87 -38.28 90.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.222 0.534 . . . . 0.0 109.721 179.035 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.96 -49.66 49.52 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.468 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.418 ' HG2' ' HA ' ' A' ' 62' ' ' VAL . 22.7 ptp -62.36 -38.82 91.02 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.478 -178.674 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.3 mp -66.58 -41.61 88.62 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.527 177.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 63' ' ' CYS . 0.3 OUTLIER -66.93 -39.53 87.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.107 0.479 . . . . 0.0 110.362 -179.176 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.57 -45.42 93.07 Favored Glycine 0 N--CA 1.442 -0.934 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.074 -178.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.88 -41.22 75.06 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.424 -0.388 . . . . 0.0 110.176 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.685 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 19.6 tm0? -61.82 -45.14 95.13 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-O 121.137 0.494 . . . . 0.0 110.264 -178.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -68.94 -45.8 62.02 Favored Glycine 0 C--O 1.243 0.678 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.657 -178.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.67 -53.64 38.37 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-O 121.022 0.439 . . . . 0.0 110.946 -177.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.545 ' HG ' HD23 ' A' ' 77' ' ' LEU . 28.6 tp -60.19 -43.84 95.58 Favored 'General case' 0 C--O 1.214 -0.804 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.387 -179.289 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.685 ' HB2' ' O ' ' A' ' 70' ' ' GLN . 0.8 OUTLIER -54.48 -53.89 48.3 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-O 121.746 0.784 . . . . 0.0 110.762 -178.249 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 28.9 ttm-85 -56.67 -42.89 79.8 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.45 -178.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -73.25 -54.69 7.79 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.979 -178.307 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.545 HD23 ' HG ' ' A' ' 73' ' ' LEU . 3.2 pp -53.2 -21.63 5.45 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -178.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.5 ' N ' HD12 ' A' ' 77' ' ' LEU . 21.6 mmtm -64.38 -45.13 89.04 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-O 121.127 0.489 . . . . 0.0 111.141 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.551 ' HD2' ' N ' ' A' ' 79' ' ' ARG . 4.8 mpt_? -94.79 -12.37 27.22 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.488 -177.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.602 ' HB ' HD21 ' A' ' 18' ' ' LEU . 61.7 m -65.18 -22.72 66.94 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -176.079 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -150.23 -174.17 4.66 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 179.166 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.503 HD13 ' N ' ' A' ' 83' ' ' ASN . 2.1 tm? -157.26 137.01 12.32 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.503 ' N ' HD13 ' A' ' 82' ' ' LEU . 15.3 t-20 168.68 141.53 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.657 0.598 . . . . 0.0 109.755 -175.75 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 77.6 mt -57.92 -41.7 80.7 Favored 'Isoleucine or valine' 0 C--O 1.241 0.648 0 CA-C-O 121.014 0.435 . . . . 0.0 110.885 178.425 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 55.9 tp -66.65 -46.7 74.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.908 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -60.01 -39.39 85.64 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.229 178.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -58.58 -43.67 89.53 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-O 121.447 0.641 . . . . 0.0 109.816 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -70.04 -44.73 68.63 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.906 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -54.9 -51.97 64.36 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.692 178.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 15.0 m-30 -56.42 -45.24 80.79 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.567 179.036 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -58.19 -43.19 87.44 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.029 178.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -69.4 -36.9 77.2 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.209 0.528 . . . . 0.0 110.068 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.35 -46.22 89.66 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.769 179.085 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -57.23 -38.76 74.27 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.867 177.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.516 ' O ' HG13 ' A' ' 99' ' ' ILE . 43.6 m -59.03 -52.18 66.87 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.401 -178.298 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 90.1 mt -69.44 -37.81 77.56 Favored 'General case' 0 CA--C 1.516 -0.342 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.035 -177.347 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.41 ' HB3' ' HG3' ' A' ' 70' ' ' GLN . 42.6 m -58.14 -50.06 74.83 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.179 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -63.14 -39.67 95.35 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.154 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.516 HG13 ' O ' ' A' ' 95' ' ' THR . 80.4 mt -62.5 -41.22 91.11 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-O 121.167 0.508 . . . . 0.0 110.242 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -60.49 -47.81 84.51 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.75 178.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 95.0 mt -59.45 -39.85 84.93 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.804 179.131 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -63.93 -49.75 71.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.455 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.401 ' OD1' HD11 ' A' ' 33' ' ' LEU . 11.2 t70 -66.03 -36.9 84.52 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.492 -179.401 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 19.3 tp -61.93 -50.22 73.03 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.438 0.637 . . . . 0.0 110.118 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.413 ' O ' ' HB3' ' A' ' 108' ' ' GLU . 37.3 tttp -65.78 -25.54 67.3 Favored 'General case' 0 N--CA 1.439 -1.017 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.652 179.288 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.437 ' HG2' ' HE3' ' A' ' 110' ' ' LYS . 35.7 tt0 -65.67 -32.98 74.84 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 175.148 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 20.3 m -63.83 -46.56 84.49 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 175.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.413 ' HB3' ' O ' ' A' ' 105' ' ' LYS . 27.3 tt0 -51.36 -48.42 62.49 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.883 176.295 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.474 ' O ' ' HG2' ' A' ' 112' ' ' LYS . 57.0 tp60 -58.0 -43.24 86.5 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.079 179.447 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.437 ' HE3' ' HG2' ' A' ' 106' ' ' GLU . 96.8 mttt -71.97 -43.88 64.43 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.489 0.552 . . . . 0.0 112.489 -177.271 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.5 p -62.52 -42.8 97.19 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.458 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 109' ' ' GLN . 9.0 pttp -71.88 -21.3 61.67 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 121.029 0.442 . . . . 0.0 110.566 177.169 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -70.03 -32.67 70.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.217 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.431 HG22 HG23 ' A' ' 116' ' ' THR . 1.5 mp -69.44 118.25 13.47 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-O 120.833 0.349 . . . . 0.0 110.287 179.046 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -75.88 123.98 26.58 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 121.255 0.55 . . . . 0.0 110.052 176.067 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.444 HG22 ' O ' ' A' ' 47' ' ' LYS . 32.2 p -111.11 174.36 5.9 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -178.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 . . . . . 0 C--O 1.244 0.771 0 CA-C-N 114.909 -1.041 . . . . 0.0 111.135 -178.487 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 N--CA 1.479 0.976 0 CA-C-O 121.235 0.54 . . . . 0.0 110.139 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -128.33 154.03 46.38 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.579 178.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -84.59 83.19 8.1 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.904 0.383 . . . . 0.0 110.918 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.535 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -122.8 163.65 31.74 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.419 178.93 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_endo -82.06 -90.24 0.0 OUTLIER 'Trans proline' 0 N--CA 1.442 -1.547 0 C-N-CA 122.332 2.021 . . . . 0.0 110.559 175.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm 40.13 69.83 0.28 Allowed 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.575 0.75 . . . . 0.0 112.818 -179.291 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.22 -11.51 25.95 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.21 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -91.14 134.11 34.8 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -105.13 14.19 29.55 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.429 -176.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 69.29 108.23 0.05 Allowed 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.283 0.563 . . . . 0.0 109.826 -175.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -130.4 115.99 17.64 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.955 -173.327 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -86.31 95.53 9.67 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.915 178.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -133.69 104.42 6.33 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.865 -179.026 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 61.33 14.7 5.89 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.023 -178.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -70.94 -25.32 62.69 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 176.342 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -119.98 173.11 7.27 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 107.586 -1.264 . . . . 0.0 107.586 175.56 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -110.09 176.49 5.04 Favored 'General case' 0 C--N 1.315 -0.906 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.84 -178.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.2 mt -58.2 -65.72 0.6 Allowed 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -176.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.444 HD11 ' CD1' ' A' ' 90' ' ' TYR . 24.0 mm -66.67 -36.12 76.47 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.525 0 CA-C-O 120.752 0.31 . . . . 0.0 110.5 -179.504 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -55.63 -46.4 77.43 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.263 178.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -66.29 -47.9 72.14 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 120.763 0.316 . . . . 0.0 110.437 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.59 -43.13 75.7 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 121.18 0.514 . . . . 0.0 110.92 177.066 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -60.36 -42.4 95.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.912 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -64.61 -45.17 88.06 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.345 177.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.5 -45.89 88.59 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.6 pt -65.26 -36.42 77.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 C-N-CA 120.524 -0.47 . . . . 0.0 111.015 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -63.94 -40.96 97.64 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-O 120.952 0.406 . . . . 0.0 110.254 175.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -65.55 -44.31 87.21 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 178.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.25 -43.14 93.69 Favored Glycine 0 C--O 1.222 -0.607 0 CA-C-N 115.479 -0.782 . . . . 0.0 112.188 177.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -56.51 -45.98 80.79 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.143 0.497 . . . . 0.0 110.353 178.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -64.18 -49.27 72.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.289 -177.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.05 -33.01 69.88 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -177.397 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.545 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 1.7 tm? -69.26 -50.3 48.22 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 178.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 69.3 mt -63.85 -33.07 74.85 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -66.29 -52.03 51.49 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.272 178.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.436 ' O ' HD23 ' A' ' 36' ' ' LEU . 5.6 tt -60.1 -34.28 73.26 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.927 -178.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.545 ' HG3' ' O ' ' A' ' 33' ' ' LEU . 91.5 mt-30 -58.42 -37.63 75.77 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 120.927 0.394 . . . . 0.0 110.192 178.552 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 51.7 m80 -66.17 -38.09 87.24 Favored 'General case' 0 C--O 1.247 0.922 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.601 178.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -68.97 -42.77 76.13 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.263 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.471 HD13 HG22 ' A' ' 111' ' ' VAL . 30.4 tp -51.42 -47.45 62.98 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.868 174.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -57.21 -40.0 76.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.246 0.546 . . . . 0.0 110.469 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -67.29 -44.26 79.72 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.053 176.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -58.58 -39.73 81.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.372 178.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -57.28 -34.07 68.28 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 121.042 0.449 . . . . 0.0 110.501 179.188 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -82.91 -42.9 17.14 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.854 -179.53 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.475 ' HB3' ' OG ' ' A' ' 48' ' ' SER . 23.9 m-80 -76.62 -35.94 57.75 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -176.242 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt 59.63 22.68 11.4 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 115.388 -0.823 . . . . 0.0 109.215 -175.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.475 ' OG ' ' HB3' ' A' ' 46' ' ' ASN . 53.0 m -69.18 120.1 14.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.176 -177.138 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.454 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 0.1 OUTLIER -62.45 -42.28 99.36 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.187 179.12 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.424 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 7.8 mm-40 -61.32 -46.01 92.04 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 116.784 -0.189 . . . . 0.0 111.06 179.191 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 45.2 tp -62.09 -41.54 98.29 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -60.29 -47.13 87.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.122 178.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.622 ' O ' ' HD3' ' A' ' 57' ' ' ARG . 7.3 mm-40 -61.09 -45.99 92.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.003 -178.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.455 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -62.86 -43.96 97.4 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 179.28 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 63.8 mt -61.23 -50.15 81.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.864 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 79.2 mt -61.94 -39.24 82.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.708 0.29 . . . . 0.0 110.942 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.622 ' HD3' ' O ' ' A' ' 53' ' ' GLU . 7.4 mpt_? -67.35 -48.45 67.46 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.604 -178.351 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.464 ' O ' HG22 ' A' ' 61' ' ' VAL . 10.8 pt-20 -69.49 -32.13 70.82 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 119.816 -0.754 . . . . 0.0 110.67 179.381 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.1 tt -61.84 -46.65 88.56 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 176.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -63.54 -43.81 96.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.888 -178.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' ' 57' ' ' ARG . 5.3 m -63.8 -37.65 80.28 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 120.449 -0.501 . . . . 0.0 110.811 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 72.0 t -70.21 -39.29 76.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 177.476 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 42.4 t -62.61 -41.56 99.07 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.87 178.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.71 -48.1 70.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.374 -178.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.421 ' HG3' HD12 ' A' ' 66' ' ' ILE . 23.2 ptp -65.61 -36.33 83.42 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.626 -179.42 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.421 HD12 ' HG3' ' A' ' 65' ' ' MET . 1.5 mp -67.83 -43.15 86.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.475 177.776 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -61.13 -39.64 90.79 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.103 0.478 . . . . 0.0 110.524 178.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -68.44 -48.14 53.11 Favored Glycine 0 N--CA 1.439 -1.145 0 CA-C-N 115.325 -0.852 . . . . 0.0 113.104 -177.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.06 -44.0 70.05 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.505 0.187 . . . . 0.0 111.505 -178.242 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.631 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 10.6 pt20 -63.57 -36.44 83.81 Favored 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.285 -178.702 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -69.27 -43.96 68.16 Favored Glycine 0 C--O 1.24 0.525 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.06 178.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.8 -53.78 29.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.108 -0.546 . . . . 0.0 110.138 -178.457 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.607 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 48.3 tp -56.19 -44.72 79.71 Favored 'General case' 0 C--O 1.214 -0.769 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.409 179.591 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.631 ' HB2' ' O ' ' A' ' 70' ' ' GLN . 2.3 tm-20 -55.68 -49.88 71.77 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.154 0.502 . . . . 0.0 110.362 -179.096 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -57.24 -45.74 83.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.003 178.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -71.24 -54.54 10.56 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.47 -176.498 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 2.9 pp -58.27 -19.43 34.29 Favored 'General case' 0 CA--C 1.516 -0.34 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.43 ' HD3' ' HA ' ' A' ' 78' ' ' LYS . 37.5 mmtt -72.64 -10.76 60.18 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 120.916 -0.314 . . . . 0.0 111.577 178.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -56.68 -35.03 67.97 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.253 0.549 . . . . 0.0 110.033 -179.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.2 t -148.12 115.48 6.24 Favored 'General case' 0 N--CA 1.436 -1.166 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.701 178.441 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -138.71 21.94 2.68 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.03 0.443 . . . . 0.0 110.068 -178.01 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.475 ' O ' ' HB2' ' A' ' 83' ' ' ASN . 3.6 tt -91.31 105.47 17.81 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 -177.031 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.533 ' HB3' ' HB2' ' A' ' 86' ' ' GLU . 22.4 t-20 168.63 131.47 0.02 OUTLIER 'General case' 0 CA--C 1.501 -0.924 0 O-C-N 124.046 0.841 . . . . 0.0 108.835 -176.283 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 50.0 mt -57.19 -47.19 84.52 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.183 0 CA-C-O 121.228 0.537 . . . . 0.0 110.956 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -75.43 -49.67 18.19 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.049 -175.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.533 ' HB2' ' HB3' ' A' ' 83' ' ' ASN . 46.1 mt-10 -61.94 -41.12 97.59 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.714 -0.221 . . . . 0.0 111.155 -178.293 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -58.65 -45.68 88.8 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.065 0.46 . . . . 0.0 110.09 177.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -59.74 -42.17 92.58 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.647 177.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -61.77 -49.94 74.34 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.542 179.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.444 ' CD1' HD11 ' A' ' 19' ' ' ILE . 4.5 m-30 -54.72 -54.59 39.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.415 177.016 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -57.56 -48.6 78.89 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.045 -178.477 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.412 ' O ' ' HB ' ' A' ' 95' ' ' THR . 6.9 tp10 -66.33 -45.74 79.22 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.601 -177.635 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.98 -44.46 91.6 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-O 120.82 0.343 . . . . 0.0 111.017 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.449 ' O ' ' HG3' ' A' ' 98' ' ' LYS . 98.7 mt-30 -64.33 -35.02 79.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.397 178.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.488 ' O ' HG13 ' A' ' 99' ' ' ILE . 53.6 m -58.3 -46.77 85.5 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.943 175.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 85.6 mt -70.08 -34.91 73.76 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.09 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 46.6 m -60.06 -50.57 73.19 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.683 179.236 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 94' ' ' GLN . 43.5 mtmt -59.44 -38.14 79.94 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.629 179.268 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 95' ' ' THR . 84.2 mt -63.55 -45.84 96.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-O 121.278 0.561 . . . . 0.0 110.019 178.393 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 65.7 tp -59.16 -51.46 69.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.032 -0.985 . . . . 0.0 111.154 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.44 -39.77 88.68 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.043 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -64.15 -37.5 87.67 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.477 178.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -70.82 -34.99 72.29 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.299 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.06 -49.68 76.36 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 120.84 0.352 . . . . 0.0 110.407 177.339 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.434 ' O ' ' HG3' ' A' ' 109' ' ' GLN . 26.4 mtpp -64.24 -31.0 72.03 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.081 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.575 ' O ' ' HD3' ' A' ' 110' ' ' LYS . 42.8 tt0 -66.62 -41.34 88.5 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 177.442 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.471 HG23 HD22 ' A' ' 40' ' ' LEU . 57.0 m -67.68 -43.13 80.92 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 114.944 -1.025 . . . . 0.0 109.469 178.206 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -49.4 -55.67 12.23 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 123.621 0.768 . . . . 0.0 111.03 174.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.434 ' HG3' ' O ' ' A' ' 105' ' ' LYS . 88.3 mt-30 -59.2 -34.26 71.95 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.641 -179.54 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.575 ' HD3' ' O ' ' A' ' 106' ' ' GLU . 4.7 mptp? -66.22 -45.56 80.25 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.162 0.506 . . . . 0.0 111.71 179.166 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.471 HG22 HD13 ' A' ' 40' ' ' LEU . 46.7 t -60.22 -46.47 94.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.709 178.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -72.36 -15.23 61.86 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.274 -0.876 . . . . 0.0 111.173 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.461 ' HB3' ' O ' ' A' ' 110' ' ' LYS . 17.6 t70 -75.24 -31.48 60.84 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.073 178.262 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -73.9 125.01 32.41 Favored 'Isoleucine or valine' 0 C--O 1.242 0.664 0 CA-C-O 121.464 0.65 . . . . 0.0 111.33 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 27.0 pt20 -77.04 118.88 20.03 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.906 177.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 50.1 p -110.1 171.58 7.37 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -178.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 . . . . . 0 C--O 1.243 0.748 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.517 -179.093 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 26.6 mp0 . . . . . 0 N--CA 1.473 0.702 0 CA-C-O 120.811 0.339 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -136.92 171.09 15.02 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.936 177.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.3 t60 59.84 47.06 10.57 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 121.423 0.63 . . . . 0.0 109.906 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.445 ' HE3' ' O ' ' A' ' 6' ' ' LYS . 54.7 pttt -62.1 151.57 80.55 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.375 -179.447 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -57.34 -48.2 18.67 Favored 'Trans proline' 0 C--N 1.355 0.894 0 C-N-CA 122.819 2.346 . . . . 0.0 112.596 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.445 ' O ' ' HE3' ' A' ' 4' ' ' LYS . 44.7 mmtm -74.98 74.57 2.19 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.975 0.417 . . . . 0.0 111.053 178.351 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -165.18 172.91 11.93 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -72.35 78.43 1.01 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.878 0.37 . . . . 0.0 110.804 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -107.45 35.37 3.09 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -46.35 -38.82 9.34 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.641 -178.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -83.8 82.08 8.48 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 177.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -116.82 142.49 46.86 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -75.63 -164.51 0.35 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.384 0.611 . . . . 0.0 111.078 -179.257 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.488 ' HB2' HD22 ' A' ' 17' ' ' LEU . 99.0 m-85 -129.04 -174.47 3.27 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.817 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -55.23 -57.65 10.92 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 123.372 0.42 . . . . 0.0 111.174 -179.096 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -167.92 101.39 0.46 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.466 0.65 . . . . 0.0 111.313 176.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.636 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 1.2 pt? -111.43 179.01 4.15 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.205 177.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.9 mt -65.95 -53.0 44.69 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.004 0.43 . . . . 0.0 111.115 -177.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.495 HD11 ' CD1' ' A' ' 90' ' ' TYR . 23.4 mm -64.0 -23.95 34.59 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-O 121.2 0.524 . . . . 0.0 110.39 178.342 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.636 ' HB2' ' CD2' ' A' ' 17' ' ' LEU . 1.7 tm-20 -62.59 -53.11 59.45 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.216 176.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -61.09 -36.17 78.95 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.192 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.7 -50.49 13.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.997 -175.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.425 ' ND2' ' HA ' ' A' ' 20' ' ' GLU . 1.8 p30 -64.65 -32.57 74.29 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.066 -176.722 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -76.06 -39.3 55.75 Favored 'General case' 0 N--CA 1.443 -0.816 0 C-N-CA 120.38 -0.528 . . . . 0.0 111.312 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.96 -45.85 80.24 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 120.659 0.266 . . . . 0.0 111.513 179.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.7 pp -66.74 -32.11 56.56 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.151 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -63.2 -44.81 94.29 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 176.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.8 ttmp? -65.23 -43.17 92.29 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.12 178.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.455 ' O ' ' HG3' ' A' ' 32' ' ' GLN . . . -61.33 -41.74 99.59 Favored Glycine 0 C--N 1.336 0.577 0 C-N-CA 121.219 -0.515 . . . . 0.0 111.984 179.191 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.531 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 35.8 tt0 -57.69 -49.31 76.95 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 123.03 0.532 . . . . 0.0 110.554 179.244 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -68.81 -39.74 79.9 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.234 -177.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.455 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 5.2 pp0? -69.38 -29.38 67.14 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.004 178.425 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -66.11 -45.56 80.74 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 176.322 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 30' ' ' GLU . 69.3 mt -65.4 -35.24 80.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.968 179.408 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -66.48 -55.67 14.55 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.123 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.61 -30.69 70.0 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.882 0.372 . . . . 0.0 111.233 -178.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -57.82 -33.75 68.94 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-O 121.363 0.601 . . . . 0.0 109.781 178.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -69.55 -40.71 76.66 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.889 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -56.85 -43.71 81.43 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.142 176.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.4 tt -50.5 -49.13 56.34 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.466 175.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -56.49 -41.36 76.52 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 120.81 0.338 . . . . 0.0 111.568 179.179 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -68.1 -44.05 77.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.48 0.657 . . . . 0.0 109.487 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.1 tp -57.17 -42.4 81.07 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.296 178.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.639 ' O ' ' HE3' ' A' ' 47' ' ' LYS . 7.1 m-20 -59.24 -35.15 73.16 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.023 0.44 . . . . 0.0 111.193 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -79.4 -46.76 16.96 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.435 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -77.91 -34.08 51.53 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -175.092 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.639 ' HE3' ' O ' ' A' ' 44' ' ' ASN . 33.1 mmtp 58.93 25.24 13.48 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.445 -177.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.2 m -68.5 119.45 12.98 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.757 -178.322 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.526 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.3 OUTLIER -61.25 -42.04 97.95 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.911 179.283 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.449 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 5.4 pt-20 -64.57 -41.9 95.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.56 178.196 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 61.4 tp -64.48 -40.44 95.68 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.052 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -56.76 -47.93 78.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.522 178.16 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.489 ' HB3' ' NH1' ' A' ' 57' ' ' ARG . 43.1 mt-10 -63.43 -43.11 98.4 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.255 -177.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 7.8 mtpm? -64.59 -41.86 95.97 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.972 0.415 . . . . 0.0 110.317 179.181 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.462 ' O ' ' HB2' ' A' ' 59' ' ' LEU . 70.3 mt -60.21 -45.14 96.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.092 178.033 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 80.5 mt -67.51 -36.35 76.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.18 178.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.489 ' NH1' ' HB3' ' A' ' 53' ' ' GLU . 2.4 mpt_? -65.8 -46.26 79.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.801 -0.181 . . . . 0.0 111.056 -179.369 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.503 ' HA ' HG12 ' A' ' 61' ' ' VAL . 7.6 mm-40 -71.98 -32.75 67.54 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.137 178.16 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.462 ' HB2' ' O ' ' A' ' 55' ' ' ILE . 13.5 tp -63.09 -48.62 77.82 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.282 0.563 . . . . 0.0 109.656 177.533 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.498 ' HA ' ' SG ' ' A' ' 63' ' ' CYS . 27.5 t70 -61.47 -47.32 86.2 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.177 -179.281 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.503 HG12 ' HA ' ' A' ' 58' ' ' GLU . 7.5 p -63.85 -40.59 89.6 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -179.607 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 76.8 t -71.95 -41.0 68.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.598 -178.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.498 ' SG ' ' HA ' ' A' ' 60' ' ' ASP . 21.1 p -66.36 -32.77 74.37 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 119.771 -0.772 . . . . 0.0 110.667 -179.036 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.18 -46.13 61.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.436 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.462 ' HG3' HD12 ' A' ' 66' ' ' ILE . 21.9 ptp -65.65 -41.1 92.95 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.31 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.462 HD12 ' HG3' ' A' ' 65' ' ' MET . 1.4 mp -65.44 -43.91 94.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.836 178.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -68.44 -36.19 78.68 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 120.83 0.348 . . . . 0.0 111.298 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -68.18 -45.42 71.25 Favored Glycine 0 N--CA 1.442 -0.966 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.212 -179.544 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.57 -41.24 72.68 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.06 -41.48 96.69 Favored 'General case' 0 C--O 1.217 -0.609 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.418 ' O ' ' HG3' ' A' ' 74' ' ' GLU . . . -68.86 -46.87 58.47 Favored Glycine 0 C--O 1.245 0.806 0 CA-C-N 115.185 -0.916 . . . . 0.0 112.56 -179.161 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.47 -54.66 21.51 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.123 0.487 . . . . 0.0 110.723 -177.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.425 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 29.3 tp -56.14 -48.03 77.05 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.261 -179.302 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.672 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 2.5 pp20? -58.92 -40.42 84.5 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.931 -177.23 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -59.42 -44.34 92.89 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.249 177.375 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -65.06 -55.38 19.17 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.365 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.497 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 3.9 pp -60.13 -19.39 53.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.406 -179.187 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.672 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 29.8 mmtm -69.79 -38.54 76.71 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 121.009 0.433 . . . . 0.0 111.156 179.022 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 61.0 mtp85 -66.24 -26.05 67.18 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.771 -179.022 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 20.0 m -71.59 138.18 48.57 Favored 'General case' 0 N--CA 1.431 -1.389 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.247 178.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -69.9 156.21 39.41 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 178.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.456 HD23 ' HB2' ' A' ' 87' ' ' ARG . 0.0 OUTLIER -147.66 148.78 31.42 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 -175.938 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -88.74 176.19 7.18 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.706 -1.134 . . . . 0.0 110.496 177.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.406 HD12 ' N ' ' A' ' 84' ' ' ILE . 2.3 mp -57.68 -33.57 45.36 Favored 'Isoleucine or valine' 0 C--O 1.241 0.621 0 CA-C-O 121.198 0.523 . . . . 0.0 110.783 177.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 60.3 tp -75.41 -46.45 32.76 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.469 -178.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.432 ' HB2' ' HB2' ' A' ' 82' ' ' LEU . 48.9 mt-10 -61.76 -40.95 96.93 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.578 179.159 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.456 ' HB2' HD23 ' A' ' 82' ' ' LEU . 74.2 ttt180 -54.24 -49.73 68.81 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 121.023 0.44 . . . . 0.0 110.056 176.636 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -60.97 -43.75 98.31 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.04 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -61.33 -50.56 72.43 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.095 179.08 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.495 ' CD1' HD11 ' A' ' 19' ' ' ILE . 3.8 m-30 -53.92 -53.91 46.11 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.23 0.538 . . . . 0.0 110.411 176.673 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -54.98 -51.32 66.59 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.124 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -62.29 -42.81 99.67 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -176.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.37 -47.55 83.65 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-O 121.064 0.459 . . . . 0.0 110.578 -177.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -68.42 -33.58 74.47 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.191 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.421 ' O ' HG13 ' A' ' 99' ' ' ILE . 52.7 m -59.16 -46.71 87.68 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.075 176.085 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.465 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 92.0 mt -65.03 -39.21 93.05 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.85 178.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.542 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 47.1 t -56.35 -45.96 80.2 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.965 178.531 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.408 ' HE2' ' HA ' ' A' ' 98' ' ' LYS . 8.4 mmpt? -63.04 -41.5 99.51 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.399 -178.649 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 95' ' ' THR . 78.2 mt -63.53 -44.02 98.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.235 179.466 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 96' ' ' LEU . 99.3 mt -63.37 -41.31 98.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.772 179.321 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 97' ' ' SER . 90.3 mt -64.49 -44.94 89.4 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.989 179.36 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -62.12 -42.87 99.67 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.678 179.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -64.63 -34.45 78.31 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.525 -0.47 . . . . 0.0 109.833 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 17.1 tp -64.88 -45.49 85.76 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 178.053 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 101' ' ' LEU . 32.1 mmmt -57.96 -39.24 77.63 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.893 176.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.481 ' O ' ' HG3' ' A' ' 110' ' ' LYS . 8.6 tp10 -60.85 -38.79 86.76 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 177.672 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 27.8 m -62.11 -55.39 29.37 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.389 -178.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -56.07 -41.14 74.65 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.437 0.161 . . . . 0.0 111.359 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -61.45 -42.19 98.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.402 179.17 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' A' ' 106' ' ' GLU . 29.5 mtpp -63.86 -41.11 97.87 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.4 0.619 . . . . 0.0 110.546 178.674 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 95.1 t -59.79 -42.28 88.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.535 177.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -66.96 -24.08 66.02 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.574 177.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -77.94 -21.7 50.68 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.733 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.1 mp -78.41 149.35 5.77 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-O 120.795 0.331 . . . . 0.0 110.379 -179.012 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -90.95 166.06 13.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.359 177.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.413 ' HB ' ' HB3' ' A' ' 49' ' ' LYS . 3.6 p -154.39 156.27 36.53 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.798 -0.183 . . . . 0.0 111.266 -172.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.715 -0.66 . . . . 0.0 110.976 177.432 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 . . . . . 0 N--CA 1.472 0.649 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -171.15 -170.59 0.86 Allowed 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.644 -175.602 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -120.84 -153.33 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 175.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 50.3 pttt -62.72 152.93 80.69 Favored Pre-proline 0 C--O 1.237 0.41 0 CA-C-O 120.434 0.159 . . . . 0.0 110.974 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -60.93 -173.09 0.09 OUTLIER 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 123.082 2.522 . . . . 0.0 113.604 -177.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -101.58 92.45 4.89 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.325 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.517 ' HD3' ' H ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -118.3 149.12 41.69 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.018 -179.783 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -179.56 150.07 0.4 Allowed 'General case' 0 C--N 1.318 -0.802 0 O-C-N 123.678 0.611 . . . . 0.0 110.065 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.429 ' HB3' ' HB3' ' A' ' 12' ' ' ASN . 4.9 t70 -98.42 33.41 2.24 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.055 0.455 . . . . 0.0 110.189 -177.155 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.505 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 47.6 m-85 71.91 32.0 1.95 Allowed 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.429 178.612 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.505 ' HB2' ' O ' ' A' ' 10' ' ' PHE . 7.3 mpt_? 78.6 17.61 1.05 Allowed 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.545 177.643 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.429 ' HB3' ' HB3' ' A' ' 9' ' ' ASP . 55.6 t30 -61.27 148.85 39.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.355 178.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -50.77 -60.16 3.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.526 -178.263 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -122.69 114.62 20.82 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.422 -0.511 . . . . 0.0 111.43 -179.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -71.22 -57.91 4.04 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 176.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 56.1 m80 -150.69 104.52 3.2 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.284 177.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.465 ' HG ' ' N ' ' A' ' 18' ' ' LEU . 42.7 tp -111.47 171.26 7.59 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.26 179.6 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.465 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 79.7 mt -55.19 -47.34 75.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.829 0.347 . . . . 0.0 111.283 179.599 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.616 HD11 ' CD1' ' A' ' 90' ' ' TYR . 22.5 mm -64.09 -39.25 84.81 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.407 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.073 178.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -60.38 -34.48 73.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.72 178.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -71.4 -51.48 23.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.207 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.43 -43.51 83.93 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.195 177.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 41.0 t-20 -60.4 -37.92 82.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.683 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -68.28 -43.74 77.06 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.457 179.021 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.26 -47.97 77.52 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 35.7 pt -64.75 -36.69 78.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.103 -179.296 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -59.62 -45.4 92.05 Favored 'General case' 0 C--O 1.247 0.969 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 176.361 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.553 ' HB3' ' HZ2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -65.87 -41.63 91.37 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.706 177.935 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.37 -44.74 96.36 Favored Glycine 0 C--N 1.34 0.776 0 C-N-CA 121.341 -0.457 . . . . 0.0 112.577 179.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.5 tt0 -57.45 -46.77 83.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.263 0.554 . . . . 0.0 110.647 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.474 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 44.9 t-80 -63.6 -45.05 92.12 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.602 -177.744 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -72.84 -31.79 65.03 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.854 -0.338 . . . . 0.0 111.52 -179.039 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -65.24 -48.39 73.44 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 178.072 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 31' ' ' HIS . 4.7 pp -64.43 -27.0 68.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.049 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -69.92 -56.72 6.3 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.191 176.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 71.1 mt -62.71 -36.02 81.61 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.469 -175.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -59.56 -40.6 87.84 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 178.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 42.6 t60 -70.04 -33.69 72.29 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.156 177.623 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -65.11 -43.83 90.75 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.058 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.458 HD21 ' HB ' ' A' ' 111' ' ' VAL . 0.3 OUTLIER -54.48 -41.17 69.23 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.147 175.661 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -59.57 -39.76 85.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.243 0.544 . . . . 0.0 109.985 178.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -67.05 -44.18 80.84 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.316 177.239 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 38.3 tp -55.65 -36.69 67.33 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.866 177.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.407 ' OD1' HD11 ' A' ' 114' ' ' ILE . 13.5 m-80 -62.15 -33.45 74.52 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.353 0.597 . . . . 0.0 111.076 178.06 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -85.69 -48.36 8.92 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.007 -178.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.464 ' ND2' ' HB2' ' A' ' 48' ' ' SER . 59.2 t30 -78.85 -31.26 45.57 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 121.059 0.456 . . . . 0.0 111.371 -177.107 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.46 ' O ' HG22 ' A' ' 116' ' ' THR . 0.2 OUTLIER 58.17 22.52 9.22 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.439 -178.535 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.464 ' HB2' ' ND2' ' A' ' 46' ' ' ASN . 25.8 t -62.82 119.04 8.58 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.889 -178.761 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.683 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.4 OUTLIER -63.48 -40.15 96.33 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.439 177.704 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.517 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 34.6 mt-10 -62.69 -45.98 90.28 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 177.259 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 63.6 tp -60.22 -40.69 91.03 Favored 'General case' 0 C--O 1.223 -0.327 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 176.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.45 ' HB3' ' O ' ' A' ' 49' ' ' LYS . 18.9 tt0 -55.63 -49.4 72.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.672 176.766 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -61.48 -47.04 87.46 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.45 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.517 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 14.4 mmmm -59.45 -40.91 88.35 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 178.74 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.7 mt -62.57 -47.82 91.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.168 178.18 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 52' ' ' GLN . 35.8 mm -59.86 -42.67 89.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-O 120.973 0.416 . . . . 0.0 110.619 177.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? -68.08 -44.92 75.18 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.895 -177.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.423 ' O ' HG23 ' A' ' 62' ' ' VAL . 7.5 tp10 -73.02 -34.8 66.57 Favored 'General case' 0 N--CA 1.432 -1.363 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.276 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.6 tp -61.99 -46.67 88.2 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 178.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -58.69 -49.66 76.74 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.142 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.3 p -63.02 -37.18 78.67 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 CA-C-O 120.821 0.343 . . . . 0.0 110.844 -178.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 58' ' ' GLU . 53.9 t -68.03 -44.85 84.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.166 177.575 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 76.3 m -61.75 -42.39 98.91 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.27 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.77 -48.05 67.44 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -178.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.444 ' HG3' HD12 ' A' ' 66' ' ' ILE . 21.3 ptp -65.36 -39.71 92.68 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.555 -178.779 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.444 HD12 ' HG3' ' A' ' 65' ' ' MET . 1.4 mp -64.77 -43.45 96.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.429 178.336 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -66.46 -37.88 86.11 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 120.806 0.336 . . . . 0.0 111.23 -179.367 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.98 -48.11 68.5 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 121.066 -0.588 . . . . 0.0 112.456 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.31 -40.89 86.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.966 -0.117 . . . . 0.0 110.747 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.66 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 58.9 mt-30 -62.77 -43.26 99.26 Favored 'General case' 0 C--O 1.21 -0.976 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.828 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.84 -43.77 93.31 Favored Glycine 0 C--O 1.239 0.414 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.554 -177.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.49 -54.19 26.76 Favored 'General case' 0 C--O 1.242 0.679 0 CA-C-O 121.336 0.589 . . . . 0.0 110.468 -178.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.562 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 53.2 tp -60.19 -41.84 93.79 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.177 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.66 ' HB2' ' O ' ' A' ' 70' ' ' GLN . 1.4 tm-20 -54.14 -51.71 63.41 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.996 0.427 . . . . 0.0 110.621 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 75' ' ' ARG . 16.2 ttm180 -58.31 -39.17 78.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.843 179.387 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -72.69 -55.85 6.18 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.244 -178.128 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.634 ' O ' ' HE2' ' A' ' 90' ' ' TYR . 3.5 pp -62.33 -21.16 65.06 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -178.42 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.456 ' N ' HD12 ' A' ' 77' ' ' LEU . 16.6 mmtp -68.36 -17.07 64.15 Favored 'General case' 0 C--N 1.305 -1.328 0 C-N-CA 119.74 -0.784 . . . . 0.0 111.892 -177.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 39.2 ttt85 -91.75 -22.24 20.28 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.969 178.293 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.2 p -81.98 12.11 4.45 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 -178.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.502 ' CG ' ' H ' ' A' ' 82' ' ' LEU . 26.1 t70 -57.78 -139.64 0.0 OUTLIER 'General case' 0 CA--C 1.569 1.7 0 C-N-CA 123.682 0.793 . . . . 0.0 110.074 171.41 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.559 ' O ' ' HB2' ' A' ' 83' ' ' ASN . 1.2 tt 59.11 65.14 1.24 Allowed 'General case' 0 N--CA 1.465 0.307 0 O-C-N 121.461 -0.774 . . . . 0.0 110.804 -178.093 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.559 ' HB2' ' O ' ' A' ' 82' ' ' LEU . 41.4 t30 165.95 138.57 0.01 OUTLIER 'General case' 0 CA--C 1.504 -0.826 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.357 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 61.6 mt -62.09 -42.38 94.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -178.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.8 tt -68.54 -52.1 35.68 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.647 -175.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -59.1 -40.31 84.9 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.367 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -61.2 -45.08 96.06 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.161 0.505 . . . . 0.0 110.653 -178.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -70.23 -48.18 58.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.297 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -56.47 -50.72 70.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.523 -179.312 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.634 ' HE2' ' O ' ' A' ' 77' ' ' LEU . 4.1 m-30 -55.64 -44.72 77.43 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.816 176.708 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -59.79 -40.86 89.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.479 -179.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -65.64 -47.42 75.64 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.348 178.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.66 -46.29 84.42 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.715 0.293 . . . . 0.0 110.75 178.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.412 ' O ' ' HG3' ' A' ' 98' ' ' LYS . 50.2 mt-30 -58.61 -38.63 78.4 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.169 177.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.523 ' O ' HG13 ' A' ' 99' ' ' ILE . 97.6 m -60.88 -49.17 78.54 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.827 179.188 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 81.9 mt -67.98 -37.16 81.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.185 -178.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.449 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 43.3 m -58.12 -48.97 78.58 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.8 179.64 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.412 ' HG3' ' O ' ' A' ' 94' ' ' GLN . 95.4 mttt -65.07 -32.47 74.2 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.164 -178.355 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 95' ' ' THR . 72.0 mt -67.49 -46.0 84.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-O 120.998 0.428 . . . . 0.0 110.244 177.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -61.58 -45.64 93.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.433 -179.27 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 97' ' ' SER . 97.2 mt -59.8 -41.94 92.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.478 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -65.39 -40.13 93.08 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.215 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -68.6 -36.33 78.54 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 30.8 tp -65.44 -44.23 87.96 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 121.233 0.539 . . . . 0.0 109.885 178.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -59.24 -30.24 68.11 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.064 176.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -68.31 -32.43 72.56 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 176.259 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 17.6 m -63.44 -49.36 74.01 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 176.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -53.06 -46.31 68.49 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.722 175.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -59.59 -40.63 88.07 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.889 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.6 tppt? -64.55 -49.24 72.0 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.764 -178.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.458 ' HB ' HD21 ' A' ' 40' ' ' LEU . 7.7 p -67.69 -39.67 82.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.499 -177.082 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 17.5 pttp -69.38 -20.59 63.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.889 0.376 . . . . 0.0 110.544 178.147 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -77.29 -30.06 54.03 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.054 178.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.407 HD11 ' OD1' ' A' ' 44' ' ' ASN . 1.4 mp -70.92 119.17 16.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 CA-C-O 121.811 0.815 . . . . 0.0 111.405 -178.021 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 14.9 pm0 -76.91 117.7 18.77 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.763 -1.108 . . . . 0.0 110.441 175.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.461 ' HB ' ' HB3' ' A' ' 49' ' ' LYS . 11.7 p -118.45 -170.25 1.86 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.54 0.21 . . . . 0.0 111.369 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 55.4 tp60 . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.456 -0.783 . . . . 0.0 110.342 -178.516 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 . . . . . 0 N--CA 1.472 0.643 0 CA-C-O 121.037 0.446 . . . . 0.0 109.92 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -71.9 124.75 25.55 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.165 -178.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.5 p-80 -139.47 70.01 1.37 Allowed 'General case' 0 C--N 1.312 -1.051 0 CA-C-O 121.974 0.892 . . . . 0.0 109.706 177.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.455 ' HB2' ' HD2' ' A' ' 5' ' ' PRO . 0.8 OUTLIER -84.18 163.1 49.46 Favored Pre-proline 0 C--N 1.318 -0.768 0 CA-C-N 114.603 -1.18 . . . . 0.0 110.927 179.311 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.455 ' HD2' ' HB2' ' A' ' 4' ' ' LYS . 21.1 Cg_endo -62.66 -154.88 0.02 OUTLIER 'Trans proline' 0 CA--C 1.547 1.131 0 C-N-CA 122.997 2.465 . . . . 0.0 112.938 176.689 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -155.07 167.79 29.19 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.633 -177.242 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -67.28 164.95 17.26 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 178.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -48.69 102.49 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 122.951 0.5 . . . . 0.0 112.087 -179.023 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -61.5 -30.72 70.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.158 176.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -129.5 85.77 2.35 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.831 177.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -47.26 123.92 6.07 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.426 176.067 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 45.2 t-20 -139.13 125.07 19.82 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.956 -178.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -106.18 165.45 11.23 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.702 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -55.88 135.29 52.18 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.242 0.544 . . . . 0.0 111.998 177.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -72.15 -22.54 61.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.656 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 49.6 m-70 -81.95 98.85 8.78 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.677 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.561 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 54.5 tp -172.92 114.16 0.26 Allowed 'General case' 0 C--O 1.24 0.597 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.39 179.025 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.483 HD13 ' HA ' ' A' ' 77' ' ' LEU . 64.2 mt -60.19 -50.08 75.1 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.507 -177.041 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.524 HD11 ' HD1' ' A' ' 90' ' ' TYR . 18.2 mm -59.24 -33.63 51.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.245 179.035 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.561 ' HB2' ' HB3' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -59.09 -51.83 68.36 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.5 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -59.82 -38.38 81.82 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.353 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.08 -38.15 69.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.516 0.674 . . . . 0.0 109.958 -179.332 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -64.59 -34.92 79.39 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.752 178.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.17 -46.01 71.91 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.349 178.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.5 ' O ' ' HG2' ' A' ' 28' ' ' LYS . . . -60.98 -46.5 90.49 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 178.774 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.3 pt -63.87 -35.59 73.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.057 -0.657 . . . . 0.0 110.71 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.416 ' O ' ' HD2' ' A' ' 31' ' ' HIS . 49.3 tp10 -60.24 -50.46 73.58 Favored 'General case' 0 C--O 1.247 0.956 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.119 177.304 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -64.23 -42.71 96.44 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 120.464 -0.495 . . . . 0.0 109.878 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.73 -43.89 96.13 Favored Glycine 0 C--N 1.341 0.81 0 CA-C-N 116.361 -0.381 . . . . 0.0 113.096 179.239 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.419 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 41.0 mt-10 -57.31 -48.48 78.83 Favored 'General case' 0 CA--C 1.508 -0.673 0 CA-C-O 120.747 0.308 . . . . 0.0 111.213 179.676 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.416 ' HD2' ' O ' ' A' ' 27' ' ' GLU . 31.4 m-70 -67.31 -32.79 74.01 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.539 -0.464 . . . . 0.0 111.33 -178.063 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -69.1 -45.28 70.61 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 176.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 104' ' ' LEU . 1.8 tm? -61.06 -51.43 69.21 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.727 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 30' ' ' GLU . 42.1 mt -63.85 -29.39 70.58 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 120.927 0.394 . . . . 0.0 110.347 -179.255 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -66.37 -54.14 27.88 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.251 177.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.0 mt -61.01 -32.43 72.02 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.571 -179.104 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' A' ' 33' ' ' LEU . 87.3 mt-30 -61.66 -34.28 75.44 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.182 0.515 . . . . 0.0 110.265 177.719 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -70.48 -39.25 74.33 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.102 177.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -62.8 -42.17 99.59 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 177.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.523 HD21 ' HB3' ' A' ' 110' ' ' LYS . 3.2 tm? -50.13 -51.42 43.38 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.527 176.496 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -56.36 -43.51 79.21 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-O 120.963 0.411 . . . . 0.0 110.978 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -64.45 -45.94 85.28 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 121.452 0.644 . . . . 0.0 110.148 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 39.8 tp -56.27 -41.53 75.98 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.936 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -57.81 -34.68 69.9 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.858 0.361 . . . . 0.0 111.109 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -80.03 -44.9 19.31 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.035 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -77.39 -35.9 53.96 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -176.053 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.404 ' O ' HG22 ' A' ' 116' ' ' THR . 43.0 mmtm 58.53 21.55 8.72 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.576 -175.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.0 t -68.9 124.9 24.97 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.303 -176.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.697 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -63.61 -39.87 95.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.564 176.538 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -65.66 -45.92 81.13 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.116 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.416 ' O ' HG13 ' A' ' 55' ' ' ILE . 46.9 tp -62.87 -41.34 99.35 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 178.487 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -58.13 -43.94 87.53 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.896 178.35 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.769 ' O ' ' HG2' ' A' ' 57' ' ' ARG . 12.3 mm-40 -59.22 -51.21 70.96 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.621 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -63.69 -41.79 98.1 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.718 0.294 . . . . 0.0 110.616 -177.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.518 ' O ' ' HB2' ' A' ' 59' ' ' LEU . 81.8 mt -59.28 -41.36 83.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.325 179.078 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 80.6 mt -72.26 -36.56 56.09 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 178.551 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.769 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 31.3 mmt180 -66.45 -52.2 48.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.016 -178.109 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.47 -32.99 74.71 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.998 179.464 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.518 ' HB2' ' O ' ' A' ' 55' ' ' ILE . 5.7 tt -62.6 -46.66 87.28 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 177.712 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -59.01 -45.74 89.95 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.43 -178.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 57' ' ' ARG . 61.6 t -62.16 -47.96 90.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.949 0.404 . . . . 0.0 111.202 -179.397 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.5 t -66.83 -39.83 84.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.721 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 43.6 t -61.99 -41.59 98.21 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.051 0.453 . . . . 0.0 109.995 178.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.45 -49.57 73.15 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.61 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.451 ' HG3' HD12 ' A' ' 66' ' ' ILE . 22.4 ptp -64.74 -35.67 81.83 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.554 -0.459 . . . . 0.0 110.62 -178.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.451 HD12 ' HG3' ' A' ' 65' ' ' MET . 1.4 mp -67.6 -46.94 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.094 178.526 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -62.31 -35.13 78.09 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.188 0.518 . . . . 0.0 110.094 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.27 -43.74 94.78 Favored Glycine 0 N--CA 1.438 -1.179 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.74 178.137 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 73' ' ' LEU . . . -70.27 -41.55 73.29 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 115.867 -0.167 . . . . 0.0 111.062 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -57.16 -43.21 82.32 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.226 0.536 . . . . 0.0 110.146 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.72 -46.61 73.92 Favored Glycine 0 CA--C 1.525 0.676 0 CA-C-N 115.189 -0.914 . . . . 0.0 112.701 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.53 -29.35 64.66 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-O 121.207 0.527 . . . . 0.0 111.33 -176.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.618 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 1.3 mm? -73.22 -56.45 5.07 Favored 'General case' 0 CA--C 1.5 -0.972 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.332 -174.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -56.68 -45.49 81.71 Favored 'General case' 0 C--O 1.215 -0.716 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.041 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 52.8 ttp180 -53.79 -47.83 70.39 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.75 -179.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.92 -56.22 4.78 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -179.025 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 4.3 pp -58.47 -26.2 63.12 Favored 'General case' 0 C--O 1.217 -0.622 0 N-CA-C 112.789 0.662 . . . . 0.0 112.789 -176.144 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.442 ' N ' HD12 ' A' ' 77' ' ' LEU . 11.0 mmmm -72.35 -31.77 65.91 Favored 'General case' 0 N--CA 1.435 -1.212 0 CA-C-O 121.077 0.465 . . . . 0.0 111.575 -178.152 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -83.31 -27.72 29.58 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.997 -177.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 15.4 m -103.0 77.67 1.58 Allowed 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.372 -0.974 . . . . 0.0 108.372 175.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -144.86 125.05 13.69 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 -175.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.512 ' O ' ' HB2' ' A' ' 83' ' ' ASN . 33.6 tp -163.47 78.77 0.43 Allowed 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 176.721 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.512 ' HB2' ' O ' ' A' ' 82' ' ' LEU . 19.9 t-20 171.9 126.9 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.369 -175.42 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.558 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 41.2 mm -56.82 -39.29 63.54 Favored 'Isoleucine or valine' 0 C--O 1.241 0.625 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.774 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -71.57 -40.76 69.73 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -177.067 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.45 ' HB2' ' HB3' ' A' ' 83' ' ' ASN . 11.3 mm-40 -61.13 -45.48 94.47 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.214 177.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.558 ' HG3' ' O ' ' A' ' 84' ' ' ILE . 6.6 ppt_? -62.52 -32.55 73.51 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 120.166 -0.614 . . . . 0.0 110.577 -178.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -69.76 -41.9 74.58 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.391 177.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -59.03 -49.34 78.25 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.308 0.575 . . . . 0.0 109.532 177.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.524 ' HD1' HD11 ' A' ' 19' ' ' ILE . 4.4 m-30 -55.97 -47.59 77.38 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.277 178.713 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -56.0 -46.71 78.66 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.72 178.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -63.33 -48.84 76.34 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.079 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.43 -44.88 85.04 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.129 0.49 . . . . 0.0 110.527 179.106 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -60.35 -42.19 95.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.858 177.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.499 ' O ' HG13 ' A' ' 99' ' ' ILE . 63.1 m -58.92 -53.36 59.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.27 177.727 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 86.7 mt -68.93 -39.26 79.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.881 -175.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.428 ' O ' HD23 ' A' ' 101' ' ' LEU . 31.6 p -60.84 -51.1 70.76 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -177.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -67.45 -29.61 69.11 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 120.562 -0.455 . . . . 0.0 111.38 -178.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 95' ' ' THR . 74.7 mt -64.16 -45.33 96.72 Favored 'Isoleucine or valine' 0 C--N 1.343 0.295 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 175.098 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 69.0 tp -62.8 -45.96 90.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.138 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.428 HD23 ' O ' ' A' ' 97' ' ' SER . 4.1 mm? -60.38 -43.29 96.74 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.965 179.345 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 22.2 ttpp -60.3 -52.21 66.23 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.231 178.247 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.65 -34.06 70.79 Favored 'General case' 0 C--O 1.242 0.687 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.464 ' HA ' HD23 ' A' ' 33' ' ' LEU . 61.1 tp -63.45 -48.0 79.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.992 0.425 . . . . 0.0 110.132 177.482 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.441 ' O ' ' HG3' ' A' ' 109' ' ' GLN . 95.0 mttt -60.62 -32.07 71.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.159 178.696 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -62.73 -42.23 99.56 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.538 0.685 . . . . 0.0 109.516 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.516 ' O ' HG23 ' A' ' 111' ' ' VAL . 10.8 m -66.79 -47.13 73.07 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.133 -0.94 . . . . 0.0 109.966 179.504 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -51.75 -52.07 51.48 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 122.448 0.299 . . . . 0.0 111.45 177.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.441 ' HG3' ' O ' ' A' ' 105' ' ' LYS . 77.4 mt-30 -54.68 -41.85 70.7 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.266 178.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.523 ' HB3' HD21 ' A' ' 40' ' ' LEU . 5.8 ttmm -62.92 -45.49 92.25 Favored 'General case' 0 N--CA 1.438 -1.039 0 CA-C-O 121.385 0.612 . . . . 0.0 110.611 179.437 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 107' ' ' THR . 99.0 t -58.83 -51.83 67.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.684 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 109' ' ' GLN . 13.5 ptmm? -69.1 -21.81 64.02 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.454 -178.571 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -79.15 -21.62 46.24 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.3 mp -71.49 120.48 19.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 174.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -71.19 123.18 21.61 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.083 0.468 . . . . 0.0 111.127 177.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.404 HG22 ' O ' ' A' ' 47' ' ' LYS . 60.5 p -115.95 -174.49 2.55 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.74 177.755 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 . . . . . 0 C--O 1.253 1.268 0 C-N-CA 123.194 0.598 . . . . 0.0 110.91 -179.312 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.752 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -134.99 145.41 48.08 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.971 -178.427 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -91.42 97.28 10.98 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.359 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.531 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -67.07 155.32 90.66 Favored Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -176.453 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -73.78 46.05 1.2 Allowed 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 123.335 2.69 . . . . 0.0 113.004 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -119.35 175.19 5.94 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -178.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -71.94 102.85 3.03 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 175.282 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -174.61 120.59 0.24 Allowed 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.097 -177.137 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -109.57 -20.21 12.94 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.257 -178.392 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -91.37 121.07 32.77 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.569 0.699 . . . . 0.0 112.79 -174.499 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.4 ttp180 -79.32 -36.7 39.14 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.093 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.403 ' HB2' HD21 ' A' ' 17' ' ' LEU . 3.3 p-10 -153.03 125.72 8.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.15 -178.176 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -90.9 -79.93 0.35 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.044 177.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -73.37 143.56 46.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.553 177.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -57.6 -53.81 53.95 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -178.282 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 29.7 m80 -85.54 5.61 30.73 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.306 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.418 ' HA ' ' HB2' ' A' ' 20' ' ' GLU . 42.6 mt 44.97 48.4 9.38 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.747 1.018 . . . . 0.0 113.747 174.504 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.424 ' HA ' HD11 ' A' ' 73' ' ' LEU . 84.1 mt -58.39 -82.12 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 121.349 0.595 . . . . 0.0 111.522 -179.699 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.554 HD11 ' CD1' ' A' ' 90' ' ' TYR . 27.4 mm -66.54 -25.63 35.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.12 0.486 . . . . 0.0 109.915 178.511 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.418 ' HB2' ' HA ' ' A' ' 17' ' ' LEU . 33.2 mm-40 -57.33 -53.46 57.87 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.056 177.352 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -61.88 -44.4 96.88 Favored 'General case' 0 CA--C 1.501 -0.925 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.953 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.78 -52.83 62.61 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.156 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -66.83 -40.91 88.15 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -69.74 -40.29 76.28 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 119.722 -0.791 . . . . 0.0 111.057 -179.092 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.13 -41.79 98.6 Favored 'General case' 0 C--O 1.225 -0.214 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 178.098 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.2 pt -68.6 -35.78 71.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 C-N-CA 120.418 -0.513 . . . . 0.0 111.306 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.62 -47.67 77.72 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 120.911 0.386 . . . . 0.0 110.334 176.471 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -65.08 -45.08 86.71 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.447 ' O ' ' HG3' ' A' ' 32' ' ' GLN . . . -58.75 -44.86 95.56 Favored Glycine 0 N--CA 1.444 -0.798 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.853 179.285 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.415 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 38.4 tt0 -61.51 -47.82 83.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.132 0.491 . . . . 0.0 110.91 -179.512 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -64.04 -45.1 90.33 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.585 -176.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.456 ' CD ' HG11 ' A' ' 62' ' ' VAL . 4.5 pp0? -71.25 -31.7 67.84 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.606 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.541 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 2.2 tm? -66.85 -46.34 75.38 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 178.364 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 30' ' ' GLU . 95.1 mt -65.01 -30.12 71.08 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 178.22 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -66.29 -55.94 13.63 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.099 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.45 ' CD1' HG21 ' A' ' 107' ' ' THR . 4.7 pp -62.82 -28.01 69.71 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.617 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.541 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 74.1 mm-40 -53.11 -39.84 63.73 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 72.2 m80 -64.9 -44.8 88.4 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.973 177.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -55.14 -52.6 62.78 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.063 178.029 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -50.44 -51.88 42.84 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.232 178.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -60.45 -39.07 86.23 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.269 0.557 . . . . 0.0 110.978 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -63.24 -41.2 99.06 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.351 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.4 ' CD2' HG23 ' A' ' 111' ' ' VAL . 51.7 tp -64.57 -35.19 80.18 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 122.481 0.312 . . . . 0.0 111.774 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -58.79 -33.8 70.75 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.146 0.498 . . . . 0.0 110.391 -178.173 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -84.07 -45.75 12.71 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.643 -179.406 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -74.18 -34.34 63.74 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 120.778 0.323 . . . . 0.0 111.461 -176.386 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.516 ' O ' HG22 ' A' ' 116' ' ' THR . 7.3 tppt? 57.33 21.3 6.62 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.678 -176.424 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.8 t -66.58 119.14 11.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.93 -179.128 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.501 ' HD2' ' N ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -61.97 -42.22 98.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.003 178.935 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.501 ' N ' ' HD2' ' A' ' 49' ' ' LYS . 4.3 pt-20 -67.78 -37.05 81.54 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 178.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 51.8 tp -63.62 -42.3 98.2 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.603 -0.439 . . . . 0.0 109.857 175.184 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.459 ' O ' HG22 ' A' ' 56' ' ' ILE . 22.1 tt0 -57.36 -43.76 83.78 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.507 176.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -56.87 -48.6 77.74 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.63 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -64.07 -45.37 89.04 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.984 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 82.0 mt -63.04 -52.0 64.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.194 -177.344 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.459 HG22 ' O ' ' A' ' 52' ' ' GLN . 16.3 tt -68.81 -33.18 57.99 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 C-N-CA 120.462 -0.495 . . . . 0.0 111.338 -178.028 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.436 ' HD3' HG23 ' A' ' 56' ' ' ILE . 1.0 OUTLIER -69.22 -43.93 73.1 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.912 -0.131 . . . . 0.0 111.2 179.026 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -65.96 -33.68 76.37 Favored 'General case' 0 CA--C 1.517 -0.299 0 C-N-CA 119.986 -0.686 . . . . 0.0 110.154 177.331 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.414 HD13 ' O ' ' A' ' 59' ' ' LEU . 2.3 tm? -63.86 -46.23 85.92 Favored 'General case' 0 C--O 1.221 -0.431 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 177.399 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.55 ' HA ' ' SG ' ' A' ' 63' ' ' CYS . 22.9 t70 -57.73 -44.59 86.12 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.257 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 57' ' ' ARG . 50.6 t -61.03 -47.66 92.58 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.195 178.524 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.456 HG11 ' CD ' ' A' ' 32' ' ' GLN . 89.7 t -71.57 -44.02 70.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -178.303 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.55 ' SG ' ' HA ' ' A' ' 60' ' ' ASP . 26.1 p -63.7 -37.5 87.58 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 119.795 -0.762 . . . . 0.0 110.215 -179.24 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.81 -43.96 82.46 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.933 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.462 ' HG3' HD12 ' A' ' 66' ' ' ILE . 21.3 ptp -70.62 -38.86 73.99 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.405 -0.518 . . . . 0.0 110.198 -179.169 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.516 ' O ' ' HB2' ' A' ' 70' ' ' GLN . 1.5 mp -63.41 -42.95 98.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.837 178.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -69.98 -36.94 75.58 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 120.813 0.339 . . . . 0.0 111.312 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.73 -47.19 69.19 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.091 -178.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.33 -37.78 80.88 Favored 'General case' 0 C--O 1.217 -0.627 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.516 ' HB2' ' O ' ' A' ' 66' ' ' ILE . 0.1 OUTLIER -60.89 -42.39 97.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.165 0.507 . . . . 0.0 109.671 -179.757 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -68.8 -45.81 63.28 Favored Glycine 0 CA--C 1.524 0.597 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.789 -178.358 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.99 -35.05 71.95 Favored 'General case' 0 C--O 1.249 1.042 0 CA-C-O 121.362 0.601 . . . . 0.0 111.029 -176.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.424 HD11 ' HA ' ' A' ' 18' ' ' LEU . 27.4 tp -74.17 -48.84 26.52 Favored 'General case' 0 CA--C 1.502 -0.885 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.011 -174.395 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.489 ' HA ' ' HG ' ' A' ' 77' ' ' LEU . 0.6 OUTLIER -59.19 -39.05 81.35 Favored 'General case' 0 N--CA 1.437 -1.116 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.894 -179.116 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.437 ' HA ' ' NE ' ' A' ' 75' ' ' ARG . 0.5 OUTLIER -59.14 -39.67 83.1 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.322 178.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -68.9 -56.69 7.1 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.726 0.298 . . . . 0.0 110.902 177.499 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.489 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 4.0 pp -63.34 -20.21 65.31 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -177.126 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -68.17 -9.02 43.68 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 -177.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -49.13 -60.04 3.13 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -174.112 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 28.1 m -161.18 83.97 0.65 Allowed 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 121.084 -0.246 . . . . 0.0 110.97 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.545 ' HB3' ' CE2' ' A' ' 90' ' ' TYR . 2.0 p30 -80.16 56.09 2.35 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 177.464 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.569 ' O ' ' HB2' ' A' ' 83' ' ' ASN . 56.2 tp -89.97 101.97 14.68 Favored 'General case' 0 N--CA 1.445 -0.685 0 O-C-N 121.588 -0.695 . . . . 0.0 109.767 -178.644 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.569 ' HB2' ' O ' ' A' ' 82' ' ' LEU . 21.2 t-20 163.97 139.41 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.466 0 O-C-N 123.95 0.782 . . . . 0.0 110.039 -177.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 51.2 mm -56.15 -49.56 75.37 Favored 'Isoleucine or valine' 0 C--O 1.244 0.785 0 CA-C-N 116.281 -0.418 . . . . 0.0 112.093 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.1 tt -73.1 -48.59 34.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.439 -175.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -56.87 -49.54 75.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.499 -178.096 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -60.4 -39.58 87.87 Favored 'General case' 0 C--O 1.226 -0.132 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.872 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -62.18 -41.47 98.36 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.523 178.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -64.94 -48.19 74.99 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.687 179.347 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.554 ' CD1' HD11 ' A' ' 19' ' ' ILE . 3.6 m-30 -54.82 -53.95 48.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.102 178.001 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -56.69 -47.14 80.57 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.565 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -65.22 -45.77 83.35 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.329 -178.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.23 -46.69 82.74 Favored 'General case' 0 C--N 1.341 0.229 0 CA-C-O 120.632 0.253 . . . . 0.0 111.015 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 -62.82 -37.98 88.93 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.529 178.08 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.506 ' O ' HG13 ' A' ' 99' ' ' ILE . 89.2 m -59.17 -51.35 70.38 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.574 178.615 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 98.3 mt -69.9 -36.77 75.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.936 -178.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 23.2 t -58.93 -50.58 73.52 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.552 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -63.58 -34.4 77.73 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.245 -179.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 95' ' ' THR . 74.5 mt -63.53 -42.85 97.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-O 121.069 0.461 . . . . 0.0 109.851 177.287 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.422 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 87.8 mt -63.86 -40.41 96.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.783 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 83.1 mt -60.77 -44.56 96.61 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.74 178.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -65.48 -33.99 77.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.222 179.308 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.419 ' O ' ' HB3' ' A' ' 106' ' ' GLU . 7.9 t70 -71.4 -42.09 68.8 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.368 -0.533 . . . . 0.0 109.891 179.602 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.436 HD23 HD23 ' A' ' 33' ' ' LEU . 96.3 mt -57.65 -44.87 85.97 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.851 0.358 . . . . 0.0 110.984 175.376 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.455 ' HA ' ' HG2' ' A' ' 108' ' ' GLU . 66.3 mttm -61.73 -30.61 70.89 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.046 0.451 . . . . 0.0 111.255 177.507 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.419 ' HB3' ' O ' ' A' ' 103' ' ' ASP . 17.8 tp10 -68.31 -43.07 78.43 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.829 177.384 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.45 HG21 ' CD1' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -69.96 -48.96 56.24 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.232 -179.082 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.455 ' HG2' ' HA ' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -53.98 -41.62 68.07 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.592 0.234 . . . . 0.0 111.23 177.716 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.555 ' O ' ' HG2' ' A' ' 112' ' ' LYS . 51.5 tt0 -63.08 -38.95 93.22 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-O 120.755 0.312 . . . . 0.0 110.919 177.317 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.469 ' O ' ' HB3' ' A' ' 113' ' ' ASP . 31.7 mttp -67.56 -45.9 74.27 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -179.114 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.4 HG23 ' CD2' ' A' ' 43' ' ' LEU . 7.6 p -64.34 -40.61 89.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.917 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.555 ' HG2' ' O ' ' A' ' 109' ' ' GLN . 10.7 ptmm? -73.27 -18.91 61.17 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.114 0.483 . . . . 0.0 110.348 177.494 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.469 ' HB3' ' O ' ' A' ' 110' ' ' LYS . 17.9 t70 -71.57 -32.72 68.39 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.778 178.464 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.476 HG22 HG23 ' A' ' 116' ' ' THR . 1.3 mp -72.93 123.69 28.25 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 CA-C-O 121.853 0.835 . . . . 0.0 111.04 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -80.3 119.31 22.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.784 -1.098 . . . . 0.0 109.565 178.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.516 HG22 ' O ' ' A' ' 47' ' ' LYS . 18.5 p -122.83 177.1 5.63 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 112.562 0.578 . . . . 0.0 112.562 -177.384 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 . . . . . 0 C--O 1.25 1.114 0 CA-C-N 115.155 -0.929 . . . . 0.0 111.089 179.754 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 . . . . . 0 N--CA 1.476 0.873 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -85.48 147.73 26.32 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.181 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.2 p80 -158.59 146.93 18.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.054 0.454 . . . . 0.0 111.888 -178.46 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -119.64 137.94 26.12 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.705 -178.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -67.22 -83.94 0.01 OUTLIER 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 122.366 2.044 . . . . 0.0 110.967 176.007 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.524 ' HG2' ' H ' ' A' ' 7' ' ' LYS . 28.2 ttmt -108.92 -172.53 2.07 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 177.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.524 ' H ' ' HG2' ' A' ' 6' ' ' LYS . 17.4 ptpt -69.63 -57.06 5.63 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.132 0.789 . . . . 0.0 113.132 -176.326 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -101.52 23.18 11.5 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 121.307 0.575 . . . . 0.0 110.93 -177.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -101.21 33.9 2.73 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.754 -177.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -57.48 -76.66 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.336 177.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 65.0 mtt-85 56.63 35.52 26.24 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.495 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -71.24 -176.66 1.52 Allowed 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.447 178.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.426 ' H ' ' CD ' ' A' ' 13' ' ' GLU . 0.8 OUTLIER -79.58 -162.52 0.42 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.081 178.464 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 46.08 45.48 12.48 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 123.588 0.555 . . . . 0.0 111.065 -176.069 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -52.25 -46.85 65.95 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.188 0.518 . . . . 0.0 110.367 -179.075 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -142.83 149.31 38.43 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 176.28 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.472 HD23 ' HB2' ' A' ' 20' ' ' GLU . 18.9 tp -174.99 102.35 0.09 Allowed 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 177.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.436 HD12 ' H ' ' A' ' 18' ' ' LEU . 5.4 mp -67.58 -36.21 80.47 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.987 -175.177 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.59 HD11 ' CD1' ' A' ' 90' ' ' TYR . 20.2 mm -65.4 -32.81 59.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.198 176.678 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.472 ' HB2' HD23 ' A' ' 17' ' ' LEU . 9.6 tp10 -60.57 -50.63 72.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.547 177.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -62.71 -31.12 71.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.873 179.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.87 -45.18 36.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.52 0.676 . . . . 0.0 110.011 -179.031 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -66.46 -34.71 78.53 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.666 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -70.04 -45.24 67.56 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.554 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.62 -47.61 85.46 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.3 pt -64.35 -35.72 75.03 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.351 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.137 -179.13 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -59.98 -50.32 74.21 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.422 0.63 . . . . 0.0 109.328 177.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -65.55 -47.61 75.25 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.836 -178.509 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.409 ' O ' ' HG3' ' A' ' 32' ' ' GLN . . . -60.71 -43.49 99.02 Favored Glycine 0 C--O 1.222 -0.595 0 CA-C-N 115.92 -0.582 . . . . 0.0 113.049 -179.256 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -63.33 -40.18 96.6 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.239 0.542 . . . . 0.0 110.478 -178.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.438 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 20.6 t-80 -66.22 -48.58 70.1 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.893 -178.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 5.3 pp0? -67.2 -28.53 68.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.265 179.136 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.622 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 1.9 tm? -69.15 -49.35 57.69 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 178.061 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 31' ' ' HIS . 4.6 pp -65.27 -30.3 71.16 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.512 -178.544 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 92.8 t80 -67.0 -47.67 70.78 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.98 177.022 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.457 HD13 ' O ' ' A' ' 36' ' ' LEU . 2.3 tm? -60.75 -35.52 76.6 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.423 -179.395 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.622 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 13.6 mm-40 -58.88 -32.64 69.67 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.011 0.434 . . . . 0.0 110.88 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -71.4 -33.24 69.3 Favored 'General case' 0 C--O 1.246 0.903 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.566 178.119 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -71.28 -42.13 69.13 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.529 178.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.9 tp -52.5 -45.12 66.07 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.574 174.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -57.13 -39.58 75.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.055 177.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -67.02 -42.06 85.56 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.741 176.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.6 tp -56.54 -40.15 74.6 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.954 178.053 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.485 ' O ' ' HE3' ' A' ' 47' ' ' LYS . 18.6 m-80 -58.52 -36.74 74.32 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.085 0.469 . . . . 0.0 110.804 177.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -82.02 -46.39 14.01 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.773 -178.092 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -76.53 -35.76 58.1 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 -176.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.485 ' HE3' ' O ' ' A' ' 44' ' ' ASN . 34.2 mmtp 58.7 22.74 10.3 Favored 'General case' 0 N--CA 1.483 1.222 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.517 -177.106 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.9 t -69.08 121.44 16.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.669 -178.218 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.686 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -60.92 -45.19 95.67 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.915 179.406 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.525 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 9.1 pt-20 -68.04 -30.99 70.34 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.668 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 59.1 tp -68.52 -45.04 73.3 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 177.1 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -57.32 -44.65 84.36 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.278 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.714 ' O ' ' HG2' ' A' ' 57' ' ' ARG . 35.2 tt0 -63.26 -47.7 81.3 Favored 'General case' 0 N--CA 1.429 -1.505 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.11 -178.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.525 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 44.3 mtmt -63.08 -42.47 99.64 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.56 -179.679 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.411 HG23 HD11 ' A' ' 36' ' ' LEU . 64.5 mt -58.08 -45.46 88.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.978 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 15.5 tt -71.76 -30.31 37.34 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.046 178.267 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.714 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 10.2 mmt180 -67.12 -52.74 37.96 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.892 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -69.41 -33.43 72.99 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.472 -178.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 51.3 tp -63.38 -43.52 97.37 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -63.45 -48.84 76.06 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.247 -178.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 31.5 m -63.67 -38.22 81.71 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 C-N-CA 120.614 -0.434 . . . . 0.0 111.692 -177.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 89.1 t -71.53 -37.25 63.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 177.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.501 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 50.8 t -62.98 -42.77 99.93 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 178.48 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.7 -49.81 64.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.665 -177.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.439 ' HG3' HD12 ' A' ' 66' ' ' ILE . 23.1 ptp -61.04 -38.0 84.62 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.509 -179.418 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.439 HD12 ' HG3' ' A' ' 65' ' ' MET . 1.4 mp -66.66 -41.64 88.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.993 178.396 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.501 ' HG3' ' O ' ' A' ' 63' ' ' CYS . 44.1 mt-10 -64.31 -37.01 85.97 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 121.16 0.505 . . . . 0.0 110.669 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.78 -46.59 73.57 Favored Glycine 0 N--CA 1.443 -0.877 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.469 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.45 -42.26 79.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.898 -0.151 . . . . 0.0 110.955 -178.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.447 ' HG2' ' HA ' ' A' ' 67' ' ' GLU . 18.0 pt20 -64.11 -39.73 94.67 Favored 'General case' 0 C--O 1.217 -0.638 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.58 -178.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.96 -43.24 91.77 Favored Glycine 0 C--O 1.243 0.673 0 C-N-CA 121.129 -0.558 . . . . 0.0 112.194 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.14 -51.8 54.48 Favored 'General case' 0 C--O 1.244 0.778 0 CA-C-O 121.369 0.604 . . . . 0.0 109.807 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.63 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 34.0 tp -58.86 -42.94 90.57 Favored 'General case' 0 C--O 1.219 -0.53 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.158 179.545 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.457 ' OE2' HD11 ' A' ' 77' ' ' LEU . 5.9 mm-40 -53.99 -52.29 61.19 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 120.812 0.339 . . . . 0.0 111.475 179.501 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 -58.74 -38.29 78.06 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -73.51 -56.12 5.45 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.331 -179.095 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.63 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 2.9 pp -61.67 -28.07 69.13 Favored 'General case' 0 C--O 1.214 -0.768 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -178.314 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.597 ' N ' HD12 ' A' ' 77' ' ' LEU . 11.2 mptt -64.75 -43.84 92.01 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 121.398 0.618 . . . . 0.0 110.694 -177.352 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 80.2 mtm180 -78.76 -34.78 45.42 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.424 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.7 m -94.53 67.59 3.39 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.348 178.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.455 ' HB2' ' CE2' ' A' ' 90' ' ' TYR . 3.8 t70 -149.73 122.04 8.42 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 -176.304 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.559 ' O ' ' HB2' ' A' ' 83' ' ' ASN . 5.0 tt -165.76 93.83 0.57 Allowed 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 -178.408 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.559 ' HB2' ' O ' ' A' ' 82' ' ' LEU . 11.1 t-20 164.01 143.5 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.849 0 O-C-N 124.054 0.846 . . . . 0.0 110.063 -179.229 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 76.1 mt -63.05 -43.7 99.16 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 CA-C-O 120.817 0.341 . . . . 0.0 111.687 178.205 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.8 tt -69.55 -50.99 39.57 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.919 -0.401 . . . . 0.0 109.919 -177.434 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.493 ' HB2' ' HB3' ' A' ' 83' ' ' ASN . 0.7 OUTLIER -56.59 -39.5 73.64 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.015 178.565 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 83' ' ' ASN . 11.5 tpp180 -57.71 -46.85 83.82 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.541 0.686 . . . . 0.0 110.266 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -61.93 -42.67 99.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.963 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -63.43 -43.54 97.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.95 178.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.59 ' CD1' HD11 ' A' ' 19' ' ' ILE . 3.4 m-85 -55.06 -55.53 30.02 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.919 175.65 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.02 -42.1 79.78 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.574 -179.389 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -65.57 -48.3 72.85 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.256 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.9 -40.81 90.05 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.144 0.497 . . . . 0.0 110.892 178.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -61.34 -43.26 99.18 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.566 178.076 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.442 ' O ' HG13 ' A' ' 99' ' ' ILE . 79.9 m -58.42 -47.15 84.87 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.182 177.536 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 92.7 mt -69.84 -42.1 74.06 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -177.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.3 p -60.77 -41.94 96.47 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.381 0.61 . . . . 0.0 111.01 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -59.48 -45.44 91.66 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.717 178.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 95' ' ' THR . 79.1 mt -60.36 -43.18 93.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.716 178.121 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.407 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 67.9 tp -59.65 -50.89 72.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.588 -179.546 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.438 ' O ' ' HG2' ' A' ' 105' ' ' LYS . 4.4 mm? -58.99 -44.06 91.53 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.656 -178.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -59.18 -47.03 86.82 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.709 178.042 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -59.42 -38.54 80.9 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 110.455 -0.202 . . . . 0.0 110.455 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.57 HD23 HD23 ' A' ' 33' ' ' LEU . 95.0 mt -63.44 -53.68 48.44 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.908 0.385 . . . . 0.0 110.771 179.162 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.485 ' O ' ' HB3' ' A' ' 108' ' ' GLU . 1.0 OUTLIER -62.62 -32.74 73.81 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.855 -178.063 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -65.55 -38.38 89.44 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 176.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.558 ' O ' HG23 ' A' ' 111' ' ' VAL . 57.1 m -63.13 -45.3 92.61 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.229 178.347 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.485 ' HB3' ' O ' ' A' ' 105' ' ' LYS . 18.7 tt0 -49.74 -51.98 34.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.525 175.569 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 105' ' ' LYS . 62.8 mt-30 -59.26 -39.29 82.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 178.589 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.466 ' O ' ' HB3' ' A' ' 113' ' ' ASP . 3.2 tppp? -68.56 -39.03 81.21 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.124 0.488 . . . . 0.0 111.688 -178.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 107' ' ' THR . 97.8 t -60.53 -43.3 94.13 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.395 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 177.097 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -71.87 -21.31 61.68 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.598 177.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.466 ' HB3' ' O ' ' A' ' 110' ' ' LYS . 23.3 t70 -68.5 -35.75 77.95 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.958 -179.182 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.453 HD11 ' OD1' ' A' ' 44' ' ' ASN . 1.7 mp -70.77 122.49 22.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.072 0.463 . . . . 0.0 110.454 178.73 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -78.91 122.75 26.51 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.742 177.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 65.9 p -115.96 -173.64 2.39 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.765 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.477 ' HB2' ' HD2' ' A' ' 49' ' ' LYS . 52.1 mt-30 . . . . . 0 C--O 1.241 0.611 0 CA-C-O 118.688 -0.672 . . . . 0.0 110.321 178.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 . . . . . 0 N--CA 1.476 0.835 0 CA-C-O 121.161 0.505 . . . . 0.0 110.039 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -70.11 98.7 1.36 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.378 -176.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 43.7 m80 -104.14 94.02 5.15 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.474 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -60.92 153.5 64.84 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.809 175.556 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -59.18 171.09 2.49 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 123.179 2.586 . . . . 0.0 113.086 -179.349 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.01 145.0 48.89 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.586 -176.051 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.438 ' HB2' ' NZ ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -98.82 142.05 30.83 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 177.13 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -91.68 122.45 34.25 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -65.31 -26.84 68.24 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-O 121.042 0.449 . . . . 0.0 110.551 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -80.27 74.25 7.11 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-O 121.705 0.764 . . . . 0.0 110.932 179.248 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.5 tpt180 -132.5 94.65 3.46 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 114.849 -1.069 . . . . 0.0 108.178 177.354 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -116.55 157.36 25.39 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.516 -177.021 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.407 ' H ' ' HG2' ' A' ' 13' ' ' GLU . 5.5 pt-20 -72.35 111.8 7.86 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.931 0.872 . . . . 0.0 111.73 -178.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -129.14 18.44 6.0 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.92 -1.036 . . . . 0.0 108.693 177.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -55.92 -30.81 62.2 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 114.851 -1.068 . . . . 0.0 111.989 -177.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 32.6 m170 70.77 49.79 0.37 Allowed 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 177.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.525 ' HB2' ' CG ' ' A' ' 20' ' ' GLU . 3.9 mm? -110.34 169.32 8.82 Favored 'General case' 0 C--O 1.211 -0.952 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.438 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.2 mp -50.85 -66.8 0.32 Allowed 'General case' 0 C--O 1.243 0.733 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -176.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.583 HD11 ' CD1' ' A' ' 90' ' ' TYR . 28.3 mm -67.8 -33.84 64.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.066 -179.502 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.525 ' CG ' ' HB2' ' A' ' 17' ' ' LEU . 13.2 mm-40 -61.3 -38.4 86.67 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 120.878 0.37 . . . . 0.0 110.454 178.71 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' A' ' 17' ' ' LEU . 15.7 mm100 -71.27 -30.37 66.21 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 121.148 0.499 . . . . 0.0 111.01 179.539 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.61 -45.33 38.1 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 121.707 0.765 . . . . 0.0 109.469 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -62.76 -38.1 89.25 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-N 114.464 -1.243 . . . . 0.0 110.402 178.202 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -66.95 -44.37 80.73 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.436 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.29 -44.92 96.42 Favored 'General case' 0 C--N 1.334 -0.082 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.8 pt -67.86 -31.54 52.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.62 -178.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -67.44 -45.95 74.54 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 176.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -65.37 -44.83 86.36 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.269 -179.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.2 -40.93 94.49 Favored Glycine 0 C--O 1.221 -0.669 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.917 178.164 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -62.48 -40.47 96.79 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.276 0.56 . . . . 0.0 110.365 179.22 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.34 -51.16 64.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.107 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.33 -29.17 65.81 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.432 -178.326 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -68.05 -50.64 53.97 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 179.11 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 pp -66.7 -30.1 70.26 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.345 0.593 . . . . 0.0 110.137 -179.309 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -68.99 -56.93 6.29 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.504 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.3 tt -63.63 -33.6 75.97 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.745 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -59.98 -38.31 82.2 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 178.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -65.86 -43.94 86.91 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.483 176.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -56.94 -46.42 82.08 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.496 176.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -52.92 -46.13 67.94 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.831 177.353 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -58.31 -41.46 84.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.247 0.546 . . . . 0.0 109.908 178.074 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -66.16 -37.43 85.63 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.865 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.1 tp -65.5 -31.48 72.57 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-O 120.61 0.243 . . . . 0.0 110.491 179.144 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -59.1 -36.2 74.72 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 121.231 0.539 . . . . 0.0 110.6 178.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -89.73 -39.96 12.82 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.571 179.116 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.408 ' OD1' ' HB2' ' A' ' 48' ' ' SER . 6.4 t-20 -75.34 -36.41 61.04 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -174.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp 55.86 18.96 3.25 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 -178.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.408 ' HB2' ' OD1' ' A' ' 46' ' ' ASN . 26.5 t -69.38 126.13 28.82 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 179.145 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.568 ' HD3' ' HB2' ' A' ' 117' ' ' GLN . 12.5 pttt -59.68 -42.38 92.78 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.209 175.685 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -60.18 -46.34 90.03 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.651 178.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.9 tp -62.73 -39.42 94.03 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.183 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -60.17 -48.5 81.46 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.598 177.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.556 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 39.4 mm-40 -58.42 -47.86 82.55 Favored 'General case' 0 C--O 1.224 -0.245 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.709 -178.656 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -63.4 -41.13 98.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.049 -179.177 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 70.4 mt -64.04 -53.11 47.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.333 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 14.1 tt -66.29 -34.88 73.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.361 -178.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.556 ' HB2' ' O ' ' A' ' 53' ' ' GLU . 2.3 mpt_? -65.57 -44.81 85.55 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 120.63 0.252 . . . . 0.0 110.348 179.083 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -70.33 -37.48 74.71 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.683 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.7 tt -62.83 -41.87 99.5 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -59.89 -48.75 80.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.327 178.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 57' ' ' ARG . 78.6 t -60.52 -47.26 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-O 120.963 0.411 . . . . 0.0 110.91 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 86.0 t -64.6 -40.78 90.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.412 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 42.7 t -62.98 -42.69 99.91 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.84 -49.32 68.58 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 122.554 0.342 . . . . 0.0 111.528 -179.055 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.415 ' HG3' HD12 ' A' ' 66' ' ' ILE . 21.4 ptp -62.12 -36.07 80.64 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.511 -0.475 . . . . 0.0 110.24 -179.235 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.415 HD12 ' HG3' ' A' ' 65' ' ' MET . 1.4 mp -67.23 -42.87 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.659 177.518 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -62.69 -42.99 99.92 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.779 0.323 . . . . 0.0 110.957 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.02 -47.4 74.14 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.977 -0.63 . . . . 0.0 113.117 -178.335 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.94 -42.6 80.74 Favored 'General case' 0 N--CA 1.451 -0.423 0 O-C-N 123.092 -0.064 . . . . 0.0 110.978 -178.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -63.04 -38.95 93.22 Favored 'General case' 0 C--O 1.221 -0.399 0 C-N-CA 120.524 -0.471 . . . . 0.0 110.695 -178.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -70.17 -45.27 56.78 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.402 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.98 -54.91 20.2 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-O 120.939 0.399 . . . . 0.0 110.633 -177.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.658 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 47.9 tp -54.89 -45.42 74.68 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.453 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.671 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 6.5 mm-40 -55.12 -53.66 53.13 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-O 120.654 0.264 . . . . 0.0 111.593 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 75' ' ' ARG . 55.7 mtt180 -57.45 -42.2 82.04 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -177.526 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -73.1 -52.15 15.36 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.84 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.658 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 2.9 pp -59.03 -21.79 59.66 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -179.562 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.671 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 59.2 mmtt -66.53 -15.84 63.69 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 120.687 0.28 . . . . 0.0 111.389 -178.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -66.84 -26.67 67.03 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.254 179.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 15.2 m -64.79 131.49 46.95 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.179 179.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -59.39 147.61 35.66 Favored 'General case' 0 C--O 1.243 0.714 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.407 -179.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.93 63.62 1.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 -176.606 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -66.33 163.96 17.02 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.347 178.08 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.424 HD12 ' H ' ' A' ' 84' ' ' ILE . 2.7 mp -57.28 -53.71 40.09 Favored 'Isoleucine or valine' 0 C--O 1.247 0.947 0 CA-C-O 120.727 0.298 . . . . 0.0 111.498 -176.207 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 54.8 tp -73.09 -47.44 44.44 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.881 -178.184 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -57.02 -44.19 82.6 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.646 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -61.01 -42.52 98.62 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.183 0.516 . . . . 0.0 110.286 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -62.45 -50.1 72.82 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.781 178.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -60.78 -51.72 68.11 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.029 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.583 ' CD1' HD11 ' A' ' 19' ' ' ILE . 3.3 m-30 -55.19 -53.28 58.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.645 -179.587 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -56.29 -46.69 79.67 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.135 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -67.28 -38.01 84.37 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.425 -177.374 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.79 -48.9 75.02 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 121.193 0.521 . . . . 0.0 109.853 178.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.419 ' HG3' ' HZ2' ' A' ' 98' ' ' LYS . 6.3 tp-100 -59.91 -38.45 82.36 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.111 178.358 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.481 ' O ' HG13 ' A' ' 99' ' ' ILE . 99.3 m -61.89 -49.05 77.74 Favored 'General case' 0 C--O 1.245 0.85 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.101 177.426 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 89.7 mt -70.03 -35.47 74.33 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.726 0.298 . . . . 0.0 110.71 -178.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.419 ' O ' HD23 ' A' ' 101' ' ' LEU . 22.9 t -57.73 -47.43 82.44 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.195 179.092 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.591 ' O ' ' HG3' ' A' ' 102' ' ' LYS . 51.1 mttp -64.11 -34.62 78.47 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.071 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 95' ' ' THR . 84.5 mt -63.41 -45.62 97.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-O 121.06 0.457 . . . . 0.0 110.257 179.265 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -60.52 -46.01 91.72 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.449 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 97' ' ' SER . 4.3 mm? -61.14 -41.68 97.18 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.674 -179.764 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.591 ' HG3' ' O ' ' A' ' 98' ' ' LYS . 9.3 mtmp? -61.04 -46.28 91.34 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.699 -0.401 . . . . 0.0 110.322 178.4 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.408 ' O ' ' HB3' ' A' ' 106' ' ' GLU . 1.4 m-20 -62.45 -36.49 82.6 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.776 178.318 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 37.3 tp -64.54 -46.68 81.8 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 121.228 0.537 . . . . 0.0 110.413 178.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -61.86 -26.27 68.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 177.376 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.557 ' O ' ' HG2' ' A' ' 110' ' ' LYS . 10.0 tp10 -66.7 -42.72 85.99 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 175.766 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 8.2 p -68.37 -40.63 81.36 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.582 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -52.33 -47.41 66.04 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.338 0.59 . . . . 0.0 110.552 174.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.44 ' HA ' ' HE3' ' A' ' 112' ' ' LYS . 29.9 tt0 -61.35 -40.07 92.93 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.931 178.446 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.557 ' HG2' ' O ' ' A' ' 106' ' ' GLU . 74.9 mmtt -64.54 -48.78 73.8 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.966 0.413 . . . . 0.0 111.898 -179.062 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.6 p -62.52 -40.82 89.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.276 -178.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.44 ' HE3' ' HA ' ' A' ' 109' ' ' GLN . 16.4 pttp -73.56 -15.22 61.29 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 120.971 0.415 . . . . 0.0 110.93 177.658 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -79.88 -31.22 40.31 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.815 179.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.7 mp -74.49 115.37 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-O 121.131 0.491 . . . . 0.0 110.658 178.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -73.91 123.88 25.1 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.61 177.181 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 24.9 p -114.65 -173.65 2.34 Favored 'General case' 0 C--N 1.305 -1.348 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.208 178.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.568 ' HB2' ' HD3' ' A' ' 49' ' ' LYS . 76.5 mt-30 . . . . . 0 C--O 1.244 0.811 0 CA-C-O 118.384 -0.817 . . . . 0.0 110.417 -178.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.2 mt . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.585 HD11 ' CD1' ' A' ' 90' ' ' TYR . 35.3 mm -69.54 -29.32 41.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.551 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.679 ' HA ' ' ND2' ' A' ' 23' ' ' ASN . 11.2 mm-40 -65.57 -40.42 92.74 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.083 178.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.87 -48.59 76.08 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 178.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.409 ' O ' HG12 ' A' ' 26' ' ' ILE . . . -53.34 -48.77 68.22 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.539 178.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.679 ' ND2' ' HA ' ' A' ' 20' ' ' GLU . 10.9 p30 -71.98 -26.01 62.08 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 120.002 -0.679 . . . . 0.0 110.785 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -70.76 -51.6 26.12 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.837 178.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.23 -46.59 88.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.202 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.425 HG12 ' HA ' ' A' ' 23' ' ' ASN . 34.4 pt -66.33 -33.09 61.21 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.457 0 C-N-CA 120.416 -0.514 . . . . 0.0 111.756 -178.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -63.05 -44.48 95.74 Favored 'General case' 0 C--O 1.24 0.59 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 176.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -66.99 -46.02 75.85 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.379 178.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.56 -44.3 97.92 Favored Glycine 0 C--O 1.219 -0.829 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.731 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -58.87 -45.99 88.88 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.183 0.516 . . . . 0.0 110.506 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 -64.52 -42.78 95.56 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.381 -178.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.64 -33.43 62.55 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.096 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.465 HD23 HD23 ' A' ' 104' ' ' LEU . 2.3 tm? -64.67 -49.24 71.74 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 178.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 pp -65.88 -31.38 72.29 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.152 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -65.67 -55.61 16.55 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.501 179.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' A' ' 36' ' ' LEU . 3.3 mm? -66.38 -32.43 73.81 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.373 -178.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -64.96 -39.75 93.96 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 120.986 0.422 . . . . 0.0 110.376 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -66.66 -31.46 72.15 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 121.668 0.747 . . . . 0.0 109.389 174.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -70.15 -36.04 74.47 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.94 177.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.442 HD13 ' O ' ' A' ' 40' ' ' LEU . 1.4 tm? -53.25 -45.83 68.93 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 173.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -59.42 -41.2 88.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.238 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -68.6 -45.67 71.33 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.498 0.666 . . . . 0.0 110.02 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.427 HD22 HD12 ' A' ' 55' ' ' ILE . 52.9 tp -57.14 -40.55 77.42 Favored 'General case' 0 C--O 1.213 -0.822 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.886 177.081 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.537 ' O ' ' HE2' ' A' ' 47' ' ' LYS . 5.9 t-20 -61.63 -28.15 69.17 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-O 121.431 0.634 . . . . 0.0 110.418 -179.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -82.76 -45.19 14.69 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.911 177.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -75.68 -33.68 60.4 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.989 -0.55 . . . . 0.0 112.03 -176.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.537 ' HE2' ' O ' ' A' ' 44' ' ' ASN . 72.8 mmtt 57.13 19.57 4.89 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.211 -176.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 41.5 t -68.48 126.71 30.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.896 -176.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.61 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -63.53 -44.81 93.14 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.795 179.142 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -66.93 -36.78 83.0 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 121.057 -0.257 . . . . 0.0 111.087 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 50.8 tp -67.55 -39.45 84.98 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -59.04 -44.74 91.81 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.994 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -63.72 -45.55 89.44 Favored 'General case' 0 N--CA 1.432 -1.343 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.617 -178.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -61.74 -46.88 87.71 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.956 0.408 . . . . 0.0 110.342 178.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.427 HD12 HD22 ' A' ' 43' ' ' LEU . 68.4 mt -60.24 -49.11 85.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.714 -178.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 14.9 tt -68.31 -31.92 53.48 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.971 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -68.57 -44.66 73.95 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.297 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -71.1 -33.61 70.34 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.349 178.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.2 tt -63.17 -47.06 84.25 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 177.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -59.57 -53.53 57.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.785 -1.098 . . . . 0.0 112.469 -178.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 32.7 m -62.22 -39.44 84.03 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -176.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 84.1 t -73.79 -37.5 48.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.724 0.297 . . . . 0.0 110.485 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 46.1 t -62.61 -41.27 98.9 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.177 0.513 . . . . 0.0 109.785 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.29 -50.48 63.54 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.908 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.406 ' HG3' HD12 ' A' ' 66' ' ' ILE . 23.1 ptp -62.72 -39.06 92.87 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.588 -178.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.431 ' O ' ' HB2' ' A' ' 70' ' ' GLN . 1.4 mp -64.44 -43.0 96.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.23 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -69.4 -37.65 77.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.838 0.351 . . . . 0.0 111.513 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.32 -45.91 88.87 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.644 -0.789 . . . . 0.0 111.902 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.39 -37.13 74.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.571 -0.315 . . . . 0.0 110.194 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.47 ' OE1' ' HB2' ' A' ' 97' ' ' SER . 4.0 tt0 -63.09 -47.72 81.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.98 0.419 . . . . 0.0 110.214 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.34 -39.16 97.49 Favored Glycine 0 C--O 1.245 0.838 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.541 -177.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.51 -53.16 38.0 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 114.825 -0.687 . . . . 0.0 109.372 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.516 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 43.9 tp -55.55 -49.62 72.21 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.716 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.476 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 49.6 mt-10 -54.33 -50.22 67.9 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.063 0.458 . . . . 0.0 111.098 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -58.49 -43.4 89.01 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.707 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -70.02 -54.6 12.45 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.854 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 3.6 pp -56.0 -20.25 15.82 Favored 'General case' 0 C--O 1.222 -0.376 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.008 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 28.6 mmtm -67.72 -14.31 62.84 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 . . . . . 0 C--O 1.233 0.199 0 CA-C-O 121.101 0.477 . . . . 0.0 110.311 179.604 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 59.8 tp . . . . . 0 CA--C 1.514 -0.436 0 CA-C-O 120.892 0.377 . . . . 0.0 110.036 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -59.58 -37.11 77.63 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.472 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -56.95 -51.7 68.13 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.117 0.484 . . . . 0.0 110.168 176.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -59.38 -45.64 90.88 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.476 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -65.08 -47.31 77.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.382 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.585 ' CD1' HD11 ' A' ' 19' ' ' ILE . 4.4 m-30 -54.88 -52.72 61.97 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.041 0.448 . . . . 0.0 111.021 177.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -57.71 -36.95 72.69 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.175 178.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -69.64 -40.98 76.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.677 -179.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.99 -42.25 97.25 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.655 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -61.18 -38.16 85.52 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.841 177.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.461 ' O ' HG13 ' A' ' 99' ' ' ILE . 93.2 m -61.89 -50.54 71.81 Favored 'General case' 0 N--CA 1.436 -1.155 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.423 178.001 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 89.2 mt -71.78 -37.84 70.4 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.712 -176.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.47 ' HB2' ' OE1' ' A' ' 70' ' ' GLN . 16.3 p -61.91 -44.19 97.3 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 121.053 0.454 . . . . 0.0 110.715 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -59.67 -42.49 92.99 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.358 178.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 95' ' ' THR . 82.2 mt -62.26 -45.12 99.49 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 CA-C-O 121.343 0.592 . . . . 0.0 110.243 178.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.417 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 0.8 OUTLIER -58.81 -51.02 71.79 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.454 179.65 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 92.1 mt -59.61 -40.96 89.26 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.57 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -55.86 -52.71 63.11 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 176.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.3 -33.61 72.61 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 112.308 0.485 . . . . 0.0 112.308 -178.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.465 HD23 HD23 ' A' ' 33' ' ' LEU . 91.7 mt -61.51 -55.11 34.67 Favored 'General case' 0 CA--C 1.519 -0.238 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.399 177.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.459 ' O ' ' HB3' ' A' ' 108' ' ' GLU . 25.6 mtpp -68.56 -22.27 64.49 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.678 -178.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -71.38 -43.98 65.83 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 177.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 22.9 m -67.55 -39.38 84.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.185 -0.916 . . . . 0.0 108.573 176.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.459 ' HB3' ' O ' ' A' ' 105' ' ' LYS . 25.3 tt0 -51.47 -50.65 59.4 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.694 173.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.551 ' HA ' ' HD3' ' A' ' 112' ' ' LYS . 41.5 tt0 -54.06 -39.84 66.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.368 177.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.437 ' HB3' HD11 ' A' ' 40' ' ' LEU . 13.7 mptt -68.51 -48.4 64.48 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 13.9 p -62.82 -40.49 88.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.961 -178.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.551 ' HD3' ' HA ' ' A' ' 109' ' ' GLN . 14.5 ptmm? -70.99 -23.08 62.12 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.549 177.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -79.99 -25.77 40.17 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -178.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -73.54 122.8 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 178.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -79.48 123.35 27.47 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.305 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 64.6 p -116.04 178.28 4.37 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.273 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.652 -178.447 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.503 HD13 ' HA ' ' A' ' 77' ' ' LEU . 69.4 mt . . . . . 0 N--CA 1.466 0.349 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.572 HD11 ' CD1' ' A' ' 90' ' ' TYR . 24.1 mm -64.05 -37.08 78.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 C-N-CA 121.071 -0.252 . . . . 0.0 111.305 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -61.2 -46.12 91.76 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.071 0.463 . . . . 0.0 109.807 178.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -62.66 -31.39 72.26 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.356 178.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.79 -39.78 56.3 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.398 0.618 . . . . 0.0 110.187 178.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.408 HD22 ' HA ' ' A' ' 23' ' ' ASN . 9.6 m120 -65.14 -38.11 89.57 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 115.023 -0.989 . . . . 0.0 110.164 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -64.25 -48.34 76.16 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.052 177.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.85 -50.47 73.65 Favored 'General case' 0 CA--C 1.528 0.097 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 179.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 41.4 pt -64.77 -31.29 53.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.339 -178.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -62.98 -51.74 65.69 Favored 'General case' 0 C--O 1.246 0.897 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 176.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -61.69 -46.05 91.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.03 178.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.469 ' O ' ' HG3' ' A' ' 32' ' ' GLN . . . -59.36 -42.17 97.31 Favored Glycine 0 N--CA 1.447 -0.604 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.714 -179.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.515 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 11.4 tp10 -56.88 -55.88 28.77 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 123.263 0.625 . . . . 0.0 111.038 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -62.9 -41.93 99.61 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.035 -176.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.469 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 5.1 pp0? -69.99 -31.46 69.16 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 116.715 -0.22 . . . . 0.0 111.034 -178.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.532 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 1.4 tm? -67.27 -45.12 77.58 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 30' ' ' GLU . 62.0 mt -63.02 -31.44 72.58 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 178.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -64.78 -52.15 58.43 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.562 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.7 mt -61.74 -33.31 73.83 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.528 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.532 ' HG3' ' O ' ' A' ' 33' ' ' LEU . 91.7 mt-30 -58.39 -39.5 79.83 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.042 0.449 . . . . 0.0 110.191 178.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.473 ' HD2' ' O ' ' A' ' 34' ' ' LEU . 35.5 m-70 -67.33 -36.89 82.37 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.743 178.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -66.46 -42.76 87.08 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.148 178.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.422 HD23 HG22 ' A' ' 111' ' ' VAL . 2.8 tm? -50.92 -46.73 60.86 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.487 175.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -58.09 -45.33 87.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.864 178.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -64.73 -42.15 95.43 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 121.33 0.586 . . . . 0.0 110.19 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.409 ' CD2' HG13 ' A' ' 111' ' ' VAL . 49.5 tp -55.58 -37.58 68.27 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.909 178.075 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -59.54 -38.22 80.47 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.701 0.286 . . . . 0.0 111.451 177.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -81.15 -47.78 13.01 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -179.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -77.13 -34.3 56.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.759 0.314 . . . . 0.0 111.352 -175.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.44 ' O ' HG22 ' A' ' 116' ' ' THR . 0.0 OUTLIER 58.81 24.6 12.54 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.214 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.1 t -69.85 123.33 21.19 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.188 -177.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.545 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -60.18 -39.95 88.3 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 121.086 0.469 . . . . 0.0 110.399 176.421 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -63.98 -44.2 93.43 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.199 179.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.465 ' O ' HG13 ' A' ' 55' ' ' ILE . 54.8 tp -63.25 -42.3 99.17 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.181 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -56.87 -49.14 76.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.82 -42.38 99.7 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.72 -178.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.453 ' HA ' ' HE2' ' A' ' 54' ' ' LYS . 6.9 mmpt? -62.99 -44.02 97.19 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.964 0.411 . . . . 0.0 110.123 178.081 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 51' ' ' LEU . 83.8 mt -61.14 -48.94 86.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.595 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 75.1 mt -62.93 -40.65 89.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.454 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -68.32 -41.53 80.7 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -177.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.448 ' HA ' HG12 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -73.86 -34.55 64.54 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.189 -0.605 . . . . 0.0 110.87 178.107 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.44 HD22 ' HB3' ' A' ' 108' ' ' GLU . 5.6 tt -61.93 -44.88 95.86 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 178.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -62.18 -48.39 80.24 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.337 -0.847 . . . . 0.0 112.164 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.448 HG12 ' HA ' ' A' ' 58' ' ' GLU . 11.5 p -62.36 -36.06 72.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 CA-C-O 120.836 0.35 . . . . 0.0 111.372 -176.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.412 HG11 ' CD ' ' A' ' 32' ' ' GLN . 98.8 t -73.24 -38.51 54.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.14 178.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.44 ' SG ' HD23 ' A' ' 59' ' ' LEU . 90.1 m -62.78 -41.27 99.17 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-O 120.842 0.353 . . . . 0.0 110.359 179.069 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.96 -45.06 83.15 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.345 -178.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.436 ' HG3' HD12 ' A' ' 66' ' ' ILE . 21.8 ptp -68.52 -35.1 77.0 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.351 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.436 HD12 ' HG3' ' A' ' 65' ' ' MET . 1.4 mp -69.3 -45.34 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 178.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.487 ' HA ' ' HG2' ' A' ' 70' ' ' GLN . 47.0 mt-10 -66.17 -35.15 79.72 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 121.077 0.465 . . . . 0.0 110.618 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -69.04 -45.87 60.99 Favored Glycine 0 N--CA 1.446 -0.642 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.513 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.1 -42.03 73.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.993 -0.103 . . . . 0.0 110.985 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.487 ' HG2' ' HA ' ' A' ' 67' ' ' GLU . 13.5 pt20 -62.99 -38.91 93.07 Favored 'General case' 0 C--O 1.216 -0.679 0 C-N-CA 120.467 -0.493 . . . . 0.0 109.843 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -64.5 -40.75 97.92 Favored Glycine 0 C--N 1.336 0.531 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.65 -52.35 52.37 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 179.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.595 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 61.2 mt -54.81 -51.35 66.1 Favored 'General case' 0 CA--C 1.504 -0.807 0 CA-C-N 115.149 -0.932 . . . . 0.0 112.031 178.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 44.0 mt-10 -53.72 -52.36 60.36 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 123.426 0.454 . . . . 0.0 111.482 -176.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 60.7 mtt85 -59.18 -39.94 84.11 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.123 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -70.83 -55.42 8.56 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 3.8 pp -57.7 -21.13 38.77 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -179.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.428 ' HA ' ' HD3' ' A' ' 78' ' ' LYS . 51.9 mmtt -68.21 -15.37 63.55 Favored 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 179.082 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 21.8 mmt85 . . . . . 0 N--CA 1.463 0.186 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.542 -179.407 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.8 tt . . . . . 0 N--CA 1.451 -0.416 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -54.02 -55.88 23.12 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.211 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -58.74 -46.96 86.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.849 0.357 . . . . 0.0 111.412 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -61.73 -44.31 97.17 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.53 -178.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -68.7 -48.16 64.57 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.714 -178.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.572 ' CD1' HD11 ' A' ' 19' ' ' ILE . 4.2 m-30 -54.13 -53.82 47.98 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.739 178.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -57.58 -35.98 71.09 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.515 178.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -71.5 -46.45 59.69 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.476 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.24 -41.0 99.02 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.206 0.527 . . . . 0.0 109.664 -179.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -63.67 -38.53 91.46 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.933 178.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.584 ' O ' HD13 ' A' ' 99' ' ' ILE . 54.6 m -59.7 -47.49 85.42 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.342 176.13 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.472 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 84.9 mt -67.96 -40.67 83.15 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.568 -178.04 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 60.4 p -59.67 -48.7 80.62 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 120.75 0.309 . . . . 0.0 111.318 -178.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.437 ' O ' ' HG3' ' A' ' 102' ' ' LYS . 99.7 mttt -61.94 -38.16 87.42 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.062 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.584 HD13 ' O ' ' A' ' 95' ' ' THR . 1.6 mp -63.24 -41.59 93.35 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-O 120.828 0.346 . . . . 0.0 110.162 177.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 96' ' ' LEU . 96.6 mt -60.66 -49.52 77.2 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.554 178.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.446 ' O ' ' HD2' ' A' ' 105' ' ' LYS . 4.3 mm? -57.4 -43.11 83.45 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.128 179.145 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 98' ' ' LYS . 49.3 mtmt -59.67 -43.32 94.03 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 121.166 -0.213 . . . . 0.0 110.946 177.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -68.61 -35.74 77.73 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.379 -0.528 . . . . 0.0 110.913 -178.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.471 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 4.2 mm? -63.48 -46.31 86.73 Favored 'General case' 0 C--N 1.345 0.4 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.005 175.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.446 ' HD2' ' O ' ' A' ' 101' ' ' LEU . 0.3 OUTLIER -57.32 -35.48 69.92 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.774 177.038 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 110' ' ' LYS . 33.1 tt0 -70.62 -43.78 68.58 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.766 178.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.502 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.7 OUTLIER -63.7 -53.95 43.16 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 121.053 -0.259 . . . . 0.0 111.422 -178.703 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.634 ' O ' ' HG2' ' A' ' 112' ' ' LYS . 9.3 pt-20 -51.52 -48.64 62.89 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 123.096 0.248 . . . . 0.0 110.93 178.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.406 ' N ' ' HG3' ' A' ' 108' ' ' GLU . 34.1 tt0 -56.21 -44.63 79.69 Favored 'General case' 0 C--O 1.223 -0.331 0 C-N-CA 123.162 0.585 . . . . 0.0 111.336 178.176 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 106' ' ' GLU . 52.9 mtmt -66.42 -40.89 89.81 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-O 121.239 0.543 . . . . 0.0 111.086 178.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 107' ' ' THR . 78.5 t -58.49 -50.55 78.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.357 177.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.634 ' HG2' ' O ' ' A' ' 108' ' ' GLU . 14.3 ptmt -74.61 -13.91 60.71 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.274 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -73.59 -29.37 62.36 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.983 177.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.4 mp -71.06 121.0 20.04 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 176.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -75.76 125.15 28.52 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.003 0.43 . . . . 0.0 110.628 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.457 ' HB ' ' HB3' ' A' ' 49' ' ' LYS . 25.2 p -117.25 -173.73 2.47 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.871 178.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.447 ' OXT' ' HD2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.796 0 CA-C-O 118.612 -0.709 . . . . 0.0 110.338 -178.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.425 ' HB3' ' HB3' ' A' ' 77' ' ' LEU . 2.3 mm? . . . . . 0 CA--C 1.517 -0.305 0 CA-C-O 121.311 0.577 . . . . 0.0 109.632 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.589 HD11 ' HD1' ' A' ' 90' ' ' TYR . 20.3 mm -67.59 -34.97 71.48 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.563 179.284 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -57.34 -41.97 81.07 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.915 0.388 . . . . 0.0 110.447 177.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -67.2 -52.75 37.36 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.182 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.433 ' O ' HG12 ' A' ' 26' ' ' ILE . . . -56.62 -47.9 78.67 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.525 178.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -56.93 -42.29 79.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.563 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -71.21 -40.19 71.28 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.953 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.22 -45.51 80.44 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.433 HG12 ' O ' ' A' ' 22' ' ' ALA . 34.5 pt -66.93 -33.93 66.62 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.157 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.764 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -63.83 -45.67 88.52 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 176.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -66.36 -42.23 88.36 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.691 178.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.466 ' O ' ' HG3' ' A' ' 32' ' ' GLN . . . -60.62 -45.37 96.47 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 116.221 -0.445 . . . . 0.0 112.19 178.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.487 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 45.8 tt0 -57.11 -47.99 79.74 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.09 0.471 . . . . 0.0 110.674 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -66.47 -40.74 89.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.655 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -71.93 -28.14 63.27 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.941 -179.659 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -67.03 -42.91 84.08 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 175.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 30' ' ' GLU . 89.2 mt -65.06 -31.12 72.18 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.412 178.097 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -69.58 -55.24 10.68 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.786 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.457 HD13 ' OE1' ' A' ' 39' ' ' GLN . 3.8 mm? -59.94 -34.92 73.9 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.036 0.446 . . . . 0.0 110.803 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -59.78 -34.39 72.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.982 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -69.34 -43.3 73.93 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.107 177.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.457 ' OE1' HD13 ' A' ' 36' ' ' LEU . 90.9 mt-30 -58.01 -45.0 87.56 Favored 'General case' 0 CA--C 1.522 -0.102 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.854 177.146 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.7 tp -52.36 -49.02 65.19 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.072 176.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -58.14 -38.8 77.27 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 121.299 0.571 . . . . 0.0 110.476 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.43 ' HB3' ' O ' ' A' ' 39' ' ' GLN . 9.1 tp10 -64.15 -44.16 92.98 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.471 179.096 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.8 tp -63.83 -34.03 77.01 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.928 -177.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.448 ' O ' ' HE3' ' A' ' 47' ' ' LYS . 72.9 m-20 -58.89 -33.76 70.88 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.123 0.487 . . . . 0.0 110.89 -178.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -86.26 -44.03 12.47 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.772 -178.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.45 ' HB3' ' OG ' ' A' ' 48' ' ' SER . 78.9 m-20 -78.39 -35.89 46.6 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -175.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.448 ' HE3' ' O ' ' A' ' 44' ' ' ASN . 34.0 mmtp 58.79 19.05 6.56 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.162 -176.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.45 ' OG ' ' HB3' ' A' ' 46' ' ' ASN . 15.8 m -64.91 118.82 9.61 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.651 -177.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.7 pttt -58.17 -47.52 83.12 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.606 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -63.49 -37.1 86.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.959 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.493 ' O ' HG13 ' A' ' 55' ' ' ILE . 55.2 tp -66.08 -43.38 87.52 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 177.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -58.11 -47.25 83.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.914 178.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.457 ' O ' ' HD3' ' A' ' 57' ' ' ARG . 40.6 mt-10 -62.53 -43.8 97.93 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.491 -179.227 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -59.82 -46.47 89.15 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.837 0.351 . . . . 0.0 110.461 177.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' ' 51' ' ' LEU . 82.5 mt -59.31 -53.24 50.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.157 -179.048 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.4 tp -70.38 -34.07 56.6 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.857 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -177.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.457 ' HD3' ' O ' ' A' ' 53' ' ' GLU . 7.2 mpt_? -67.48 -52.58 37.58 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.621 0.248 . . . . 0.0 110.982 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.432 ' O ' HG23 ' A' ' 62' ' ' VAL . 42.3 mt-10 -70.32 -31.77 69.23 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.944 -0.303 . . . . 0.0 111.11 -178.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 65.6 tp -61.58 -44.52 96.86 Favored 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 176.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -60.45 -43.96 96.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.632 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 90.5 t -60.66 -44.37 96.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 CA-C-O 120.985 0.422 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 58' ' ' GLU . 60.4 t -67.19 -38.95 82.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.447 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.475 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 72.8 m -62.8 -41.56 99.34 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.994 0.426 . . . . 0.0 110.187 179.234 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.94 -49.62 69.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.878 -178.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.425 ' HG3' HD12 ' A' ' 66' ' ' ILE . 22.7 ptp -63.73 -34.68 78.42 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.497 -178.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.425 HD12 ' HG3' ' A' ' 65' ' ' MET . 1.4 mp -67.17 -43.72 88.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.038 178.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' ' 63' ' ' CYS . 48.4 mt-10 -65.36 -38.05 88.9 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 120.747 0.308 . . . . 0.0 111.381 -178.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.53 -47.87 60.07 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.705 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.37 -42.12 75.6 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 122.94 -0.153 . . . . 0.0 111.381 -178.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.621 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 13.1 pt20 -63.88 -37.53 87.75 Favored 'General case' 0 C--O 1.22 -0.483 0 C-N-CA 120.426 -0.509 . . . . 0.0 110.455 -179.06 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -70.16 -41.96 68.35 Favored Glycine 0 C--O 1.243 0.659 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.299 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.84 -54.5 25.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.134 -0.533 . . . . 0.0 110.256 -179.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.528 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 25.9 tp -57.34 -41.93 80.96 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.187 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.621 ' HB2' ' O ' ' A' ' 70' ' ' GLN . 0.7 OUTLIER -54.19 -50.51 66.88 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.243 0.544 . . . . 0.0 110.022 179.67 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 75' ' ' ARG . 9.1 tpt180 -56.87 -43.1 80.88 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.754 179.192 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -71.49 -55.7 7.35 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.945 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 3.5 pp -58.38 -19.8 38.83 Favored 'General case' 0 CA--C 1.512 -0.505 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -177.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.422 ' N ' HD12 ' A' ' 77' ' ' LEU . 14.9 mmtp -64.06 -10.45 22.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.788 0.328 . . . . 0.0 111.79 -179.308 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 79' ' ' ARG . 8.2 tpt180 . . . . . 0 CA--C 1.534 0.349 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.307 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.451 -0.392 0 CA-C-O 120.688 0.28 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -60.82 -41.1 95.07 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.53 -178.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 19.2 tpp85 -58.26 -49.15 78.14 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 120.907 0.384 . . . . 0.0 110.134 178.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -60.1 -40.87 91.14 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.654 179.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -65.02 -51.72 60.02 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.716 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.589 ' HD1' HD11 ' A' ' 19' ' ' ILE . 8.3 m-30 -55.15 -55.25 33.32 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.41 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -60.21 -39.09 85.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.143 -178.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -66.39 -47.3 73.75 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.824 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.74 -43.88 90.35 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.84 0.352 . . . . 0.0 110.793 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -67.27 -32.94 74.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.469 ' O ' HG13 ' A' ' 99' ' ' ILE . 91.4 m -60.1 -49.98 75.5 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 174.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.455 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 79.4 mt -70.38 -35.13 73.33 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.262 -178.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.491 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 41.5 t -56.28 -52.14 65.6 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.511 178.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -63.52 -34.48 77.88 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.175 -179.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 95' ' ' THR . 88.2 mt -65.26 -44.9 94.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 CA-C-O 121.218 0.533 . . . . 0.0 109.88 178.48 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.477 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 98.8 mt -63.44 -42.19 98.68 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.78 179.342 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 97' ' ' SER . 96.3 mt -62.95 -41.71 99.59 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.122 178.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.4 ' HE2' ' HB3' ' A' ' 102' ' ' LYS . 5.6 tmmm? -62.26 -39.75 93.91 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.487 177.317 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -71.31 -34.94 71.06 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.412 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 100' ' ' LEU . 96.3 mt -62.83 -45.89 90.47 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 175.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.507 ' HA ' ' HG2' ' A' ' 108' ' ' GLU . 41.8 mttp -57.5 -31.74 66.32 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.402 177.17 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.536 ' O ' ' HE3' ' A' ' 110' ' ' LYS . 41.8 mm-40 -67.93 -41.57 82.37 Favored 'General case' 0 CA--C 1.511 -0.542 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.3 175.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.493 ' O ' HG23 ' A' ' 111' ' ' VAL . 25.2 m -66.59 -54.57 22.07 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -177.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.507 ' HG2' ' HA ' ' A' ' 105' ' ' LYS . 9.0 pt-20 -54.06 -51.39 64.24 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 111.728 0.269 . . . . 0.0 111.728 179.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.457 ' N ' ' HG3' ' A' ' 108' ' ' GLU . 16.1 mm-40 -61.83 -37.71 85.48 Favored 'General case' 0 C--O 1.226 -0.145 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -179.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.536 ' HE3' ' O ' ' A' ' 106' ' ' GLU . 0.0 OUTLIER -67.74 -42.82 81.23 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.329 0.585 . . . . 0.0 110.511 179.227 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 107' ' ' THR . 69.8 t -61.15 -43.1 95.66 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.171 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.85 178.138 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' A' ' 108' ' ' GLU . 64.8 mttm -66.37 -25.19 66.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.278 177.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -74.81 -25.78 59.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.753 -178.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.5 mp -74.15 121.19 24.78 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 CA-C-O 121.244 0.545 . . . . 0.0 109.779 177.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -76.62 121.09 22.72 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.758 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 30.7 p -116.56 -174.95 2.66 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.605 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 . . . . . 0 C--O 1.246 0.876 0 O-C-N 123.96 0.788 . . . . 0.0 112.155 179.821 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 N--CA 1.473 0.701 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.553 HD11 ' CD1' ' A' ' 90' ' ' TYR . 23.6 mm -59.24 -37.23 67.68 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.151 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.12 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -57.51 -43.43 84.25 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.005 0.431 . . . . 0.0 110.507 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -50.01 74.58 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.901 179.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.66 -37.1 79.38 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.54 0.686 . . . . 0.0 110.739 -178.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -59.84 -42.31 93.3 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.417 -1.265 . . . . 0.0 111.106 -178.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 -77.11 -32.21 56.39 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 119.87 -0.732 . . . . 0.0 112.577 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.35 -44.88 93.55 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 118.541 0.61 . . . . 0.0 111.289 176.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 36.8 pt -67.15 -31.88 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.099 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.241 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -59.25 -44.02 92.4 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 121.473 0.654 . . . . 0.0 109.452 175.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -65.18 -44.0 89.88 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.969 177.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.57 ' O ' ' HG3' ' A' ' 32' ' ' GLN . . . -60.29 -45.89 95.29 Favored Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 116.039 -0.528 . . . . 0.0 113.618 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -64.38 -37.24 86.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.139 0.495 . . . . 0.0 110.883 -178.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -66.23 -48.71 69.66 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.668 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.57 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 1.0 OUTLIER -67.13 -33.85 76.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.134 179.475 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.451 HD11 ' OD1' ' A' ' 103' ' ' ASP . 2.2 tm? -62.47 -52.04 65.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.752 -0.204 . . . . 0.0 110.502 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.464 ' O ' ' HD2' ' A' ' 38' ' ' HIS . 4.6 pp -65.81 -27.62 68.39 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 120.371 -0.532 . . . . 0.0 110.336 -179.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -65.95 -54.4 26.78 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.813 178.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.37 -31.31 72.36 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.557 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 16.2 mm-40 -59.84 -39.2 84.32 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 121.157 0.503 . . . . 0.0 110.541 177.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.464 ' HD2' ' O ' ' A' ' 34' ' ' LEU . 43.2 m-70 -66.02 -34.61 78.48 Favored 'General case' 0 C--O 1.25 1.103 0 CA-C-O 121.518 0.675 . . . . 0.0 110.064 176.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -68.56 -41.95 79.03 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.607 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.3 tp -51.67 -46.31 63.73 Favored 'General case' 0 C--N 1.34 0.183 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.268 175.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -57.51 -42.76 83.42 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.016 0.436 . . . . 0.0 110.4 177.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -65.42 -45.42 83.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.051 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.1 tp -56.26 -40.68 74.6 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.997 178.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -58.92 -40.58 84.99 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.995 0.426 . . . . 0.0 111.302 178.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -81.12 -46.08 15.48 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.794 -176.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.406 ' ND2' ' HB2' ' A' ' 48' ' ' SER . 66.4 t30 -77.26 -30.62 54.46 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.032 0.444 . . . . 0.0 110.604 -177.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.524 ' O ' HG22 ' A' ' 116' ' ' THR . 0.1 OUTLIER 57.27 27.06 13.09 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.271 179.75 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.406 ' HB2' ' ND2' ' A' ' 46' ' ' ASN . 44.3 t -67.65 121.5 16.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.155 -178.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.688 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -62.52 -47.88 82.0 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.874 178.704 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 15.8 pt-20 -63.97 -40.03 95.48 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.879 -179.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.411 ' O ' HG13 ' A' ' 55' ' ' ILE . 42.2 tp -60.53 -43.66 96.9 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 176.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -57.86 -45.54 86.15 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.757 178.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.494 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 42.4 tt0 -62.07 -46.08 90.69 Favored 'General case' 0 N--CA 1.438 -1.059 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.353 -178.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 7.3 mtpm? -65.35 -42.9 92.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.677 0.275 . . . . 0.0 110.359 178.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 51' ' ' LEU . 66.3 mt -60.3 -51.1 76.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.193 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 15.4 tt -66.88 -31.94 55.75 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-O 120.727 0.298 . . . . 0.0 111.354 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' A' ' 53' ' ' GLU . 4.9 tpt85 -68.87 -52.62 27.76 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.093 -178.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -64.94 -33.74 76.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.942 0.401 . . . . 0.0 109.92 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 52.8 tp -60.84 -46.78 89.2 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.927 179.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -64.97 -42.87 94.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.954 -178.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.8 t -62.9 -48.63 87.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 CA-C-O 120.964 0.411 . . . . 0.0 111.357 -178.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 47.3 t -66.35 -33.55 64.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.327 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.769 ' SG ' ' HE2' ' A' ' 105' ' ' LYS . 51.7 t -66.32 -41.32 89.81 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.263 0.554 . . . . 0.0 109.964 177.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.52 -45.05 84.99 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.336 -177.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.408 ' HG3' HD12 ' A' ' 66' ' ' ILE . 21.9 ptp -65.87 -36.43 83.4 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.884 0.373 . . . . 0.0 110.347 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.408 HD12 ' HG3' ' A' ' 65' ' ' MET . 1.3 mp -68.02 -41.72 84.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.877 178.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 63' ' ' CYS . 46.3 mt-10 -66.28 -35.54 80.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.132 0.491 . . . . 0.0 110.441 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -68.0 -47.44 59.89 Favored Glycine 0 N--CA 1.443 -0.888 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.189 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.463 ' O ' ' HG ' ' A' ' 73' ' ' LEU . . . -69.83 -39.31 76.52 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -58.63 -44.71 90.08 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-O 121.219 0.533 . . . . 0.0 109.642 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.19 -41.39 99.66 Favored Glycine 0 C--O 1.25 1.113 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.69 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.77 -57.36 7.22 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-N 114.89 -0.655 . . . . 0.0 111.12 -177.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.666 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 4.4 pp -62.95 -38.81 92.54 Favored 'General case' 0 C--O 1.215 -0.727 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.144 -178.195 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.543 ' N ' HD12 ' A' ' 73' ' ' LEU . 11.7 tp10 -55.44 -54.3 45.49 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.093 0.473 . . . . 0.0 110.722 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -62.49 -34.12 76.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.653 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -75.97 -55.21 5.83 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.783 -179.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.666 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 3.7 pp -57.39 -24.94 58.45 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -178.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.495 ' N ' HD12 ' A' ' 77' ' ' LEU . 14.0 mmtp -69.09 -31.87 70.89 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-O 121.075 0.465 . . . . 0.0 111.63 -178.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.469 ' O ' ' HD3' ' A' ' 79' ' ' ARG . 1.1 tmt_? . . . . . 0 C--N 1.325 -0.462 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.899 -176.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 50.8 tp . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 121.178 0.513 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 29.7 mp0 -58.76 -43.48 90.34 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.897 178.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 45.8 mtm180 -58.85 -45.24 90.55 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 121.178 0.513 . . . . 0.0 110.76 178.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -64.8 -38.6 91.54 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.185 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -66.12 -50.19 64.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.875 0.369 . . . . 0.0 110.533 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.553 ' CD1' HD11 ' A' ' 19' ' ' ILE . 4.0 m-30 -55.15 -48.87 73.1 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.629 177.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -57.33 -42.05 81.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.297 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -66.98 -37.01 83.46 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 120.919 0.39 . . . . 0.0 110.632 -179.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.38 -40.86 96.64 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.418 0.627 . . . . 0.0 109.42 177.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -62.0 -39.12 91.14 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.541 176.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.459 ' O ' HG13 ' A' ' 99' ' ' ILE . 89.9 m -57.03 -50.21 73.43 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.604 178.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 87.7 mt -68.05 -39.23 83.07 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.724 -177.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.0 p -63.02 -41.52 99.56 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.027 0.442 . . . . 0.0 111.128 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.58 ' HE2' ' HA ' ' A' ' 98' ' ' LYS . 6.9 mmpt? -59.89 -44.68 94.09 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.995 178.227 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 95' ' ' THR . 84.1 mt -59.73 -44.37 93.59 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.91 178.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.431 HD21 ' HA3' ' A' ' 29' ' ' GLY . 66.6 tp -60.04 -51.98 67.34 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.209 -0.905 . . . . 0.0 112.138 -179.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.95 -38.05 89.64 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.976 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -62.95 -50.46 70.71 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 110.509 -0.182 . . . . 0.0 110.509 177.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.451 ' OD1' HD11 ' A' ' 33' ' ' LEU . 5.3 t70 -62.81 -34.69 77.82 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -63.07 -53.67 50.12 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.766 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.769 ' HE2' ' SG ' ' A' ' 63' ' ' CYS . 5.4 mptp? -60.93 -31.85 71.37 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.948 178.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -64.95 -36.47 84.48 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 177.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 26.8 m -64.69 -47.5 78.14 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.228 177.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -51.11 -49.47 60.69 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 123.779 0.831 . . . . 0.0 110.998 176.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.555 ' O ' ' HG2' ' A' ' 112' ' ' LYS . 30.8 tt0 -59.94 -39.41 85.45 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.168 178.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.41 ' O ' ' HB3' ' A' ' 113' ' ' ASP . 96.0 mttt -71.12 -43.54 67.42 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -177.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 34.6 m -62.41 -40.36 87.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 CA-C-O 120.757 0.313 . . . . 0.0 110.733 178.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.555 ' HG2' ' O ' ' A' ' 109' ' ' GLN . 11.5 ptmm? -76.94 -15.07 59.77 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 120.991 0.424 . . . . 0.0 110.687 177.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.41 ' HB3' ' O ' ' A' ' 110' ' ' LYS . 31.8 t70 -74.32 -30.12 61.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.02 178.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.433 HG22 HG23 ' A' ' 116' ' ' THR . 1.5 mp -66.79 124.19 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-O 120.924 0.393 . . . . 0.0 109.995 177.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -79.51 122.25 26.22 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.306 -0.406 . . . . 0.0 109.911 178.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.532 ' HB ' ' HB3' ' A' ' 49' ' ' LYS . 3.3 p -127.9 -164.35 1.36 Allowed 'General case' 0 C--N 1.309 -1.188 0 O-C-N 122.337 -0.227 . . . . 0.0 110.87 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.449 ' HB2' ' HD2' ' A' ' 49' ' ' LYS . 53.5 mt-30 . . . . . 0 C--O 1.246 0.91 0 CA-C-O 118.435 -0.793 . . . . 0.0 110.399 178.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.1 mt . . . . . 0 CA--C 1.528 0.121 0 CA-C-O 120.714 0.292 . . . . 0.0 111.258 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.558 HD11 ' CD1' ' A' ' 90' ' ' TYR . 19.9 mm -62.69 -45.3 99.17 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.346 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.68 178.129 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -58.79 -35.88 73.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.132 0.492 . . . . 0.0 110.81 179.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -68.65 -49.84 55.9 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.749 178.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.93 -40.74 89.95 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.572 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -65.45 -35.54 81.22 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.005 -179.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -70.78 -37.92 73.38 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.155 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.78 -47.83 84.11 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.765 177.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 31.5 pt -64.74 -34.68 71.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 C-N-CA 120.749 -0.381 . . . . 0.0 111.109 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -54.64 -52.53 62.0 Favored 'General case' 0 C--O 1.245 0.855 0 CA-C-O 121.253 0.549 . . . . 0.0 109.874 175.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -62.3 -43.24 99.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.489 179.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.48 -44.84 90.28 Favored Glycine 0 C--N 1.337 0.638 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.541 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.426 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 44.3 mt-10 -61.34 -42.76 99.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.026 0.441 . . . . 0.0 110.985 -179.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 39.0 t-80 -66.54 -47.65 72.2 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.339 -178.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.18 -31.83 68.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.384 -178.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.431 ' O ' HD22 ' A' ' 33' ' ' LEU . 1.4 tm? -67.21 -48.84 66.67 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.616 0.246 . . . . 0.0 110.567 178.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 30' ' ' GLU . 78.4 mt -65.19 -31.21 72.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.162 0.506 . . . . 0.0 109.861 -179.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -67.65 -54.62 18.08 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.81 179.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.2 mt -60.52 -30.13 69.55 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.291 -0.413 . . . . 0.0 112.028 -178.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -57.45 -31.77 66.27 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 120.834 0.349 . . . . 0.0 110.842 177.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 36.7 t60 -66.92 -43.72 82.58 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 177.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -57.81 -44.46 86.38 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.946 176.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.463 HD11 ' HB2' ' A' ' 110' ' ' LYS . 8.2 tt -50.23 -49.2 53.65 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 123.181 0.592 . . . . 0.0 110.925 175.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -56.51 -40.9 75.8 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.113 0.482 . . . . 0.0 110.512 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -68.41 -41.74 80.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.361 178.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.0 tp -56.64 -39.4 73.6 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.765 177.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.451 ' OD1' HD11 ' A' ' 114' ' ' ILE . 92.2 m-20 -58.23 -33.92 69.86 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.13 0.49 . . . . 0.0 110.476 177.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -80.05 -45.34 18.5 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.264 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -79.08 -37.05 39.78 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -176.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.418 ' HE2' ' O ' ' A' ' 44' ' ' ASN . 75.7 mmtt 58.55 22.39 9.67 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 -174.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.9 t -67.86 125.42 26.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.333 -0.849 . . . . 0.0 112.3 -176.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.688 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -63.51 -40.74 97.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.424 176.523 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.599 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 61.9 mm-40 -66.24 -45.32 81.04 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.531 179.588 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 51.4 tp -62.95 -41.76 99.61 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -58.02 -43.5 86.75 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.154 177.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.441 ' O ' ' HD3' ' A' ' 57' ' ' ARG . 36.0 tt0 -61.93 -48.21 81.46 Favored 'General case' 0 N--CA 1.434 -1.259 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.332 -179.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.599 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 42.7 mmtm -64.96 -42.54 94.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.84 0.352 . . . . 0.0 110.309 -178.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 71.8 mt -60.11 -51.32 74.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.049 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 15.4 tt -68.45 -32.12 54.12 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 121.002 -0.279 . . . . 0.0 111.427 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.441 ' HD3' ' O ' ' A' ' 53' ' ' GLU . 1.5 mpt_? -66.55 -52.1 49.32 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.828 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -66.38 -35.19 79.7 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 120.839 -0.345 . . . . 0.0 110.483 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 23.9 tp -62.7 -44.42 96.29 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -59.52 -46.28 89.32 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.471 178.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 57' ' ' ARG . 64.4 t -62.11 -48.12 89.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.981 -179.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 87.3 t -64.65 -41.31 91.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.572 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 50.9 t -63.24 -41.59 99.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.917 0.389 . . . . 0.0 110.193 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.74 -50.67 68.19 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.845 -179.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.461 ' HG3' HD12 ' A' ' 66' ' ' ILE . 22.6 ptp -63.46 -37.06 85.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.946 0.403 . . . . 0.0 110.637 -178.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.461 HD12 ' HG3' ' A' ' 65' ' ' MET . 1.4 mp -66.78 -45.13 88.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.33 179.174 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -67.27 -39.24 86.04 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.89 0.376 . . . . 0.0 111.062 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.54 -42.78 97.29 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.921 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.65 -39.0 70.65 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 179.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.14 -47.78 83.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.09 0.471 . . . . 0.0 110.256 -179.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.2 -42.17 91.35 Favored Glycine 0 C--O 1.244 0.72 0 CA-C-N 115.606 -0.725 . . . . 0.0 112.594 -178.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.36 -53.01 49.67 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-O 121.195 0.521 . . . . 0.0 110.192 -178.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.674 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 27.2 tp -56.69 -42.03 78.38 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.488 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.511 ' OE1' HD11 ' A' ' 77' ' ' LEU . 2.2 mm-40 -53.59 -53.07 57.04 Favored 'General case' 0 C--O 1.22 -0.451 0 O-C-N 123.414 0.446 . . . . 0.0 111.454 179.07 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.417 ' C ' ' HD3' ' A' ' 75' ' ' ARG . 4.4 tmt_? -57.83 -41.53 82.45 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 120.58 0.229 . . . . 0.0 110.742 -178.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -72.56 -54.8 8.15 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.633 -178.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.674 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 2.5 pp -59.04 -25.04 63.37 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -177.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.554 ' N ' HD12 ' A' ' 77' ' ' LEU . 59.9 mmtt -64.78 -24.88 67.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.489 0.661 . . . . 0.0 110.537 -178.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 26.8 ttp180 . . . . . 0 C--N 1.321 -0.664 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.271 -178.204 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 59.0 tp . . . . . 0 CA--C 1.513 -0.472 0 CA-C-O 120.502 0.191 . . . . 0.0 110.668 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -58.45 -46.23 86.96 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.563 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -57.96 -42.88 85.93 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 121.263 0.554 . . . . 0.0 110.617 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -67.67 -44.49 77.7 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.91 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -57.12 -52.9 63.43 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-O 121.187 0.517 . . . . 0.0 109.89 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.58 ' CE2' ' HB2' ' A' ' 77' ' ' LEU . 5.8 m-85 -55.25 -53.94 49.7 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.565 178.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -53.52 -50.96 64.35 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.67 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -65.79 -48.37 71.99 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -177.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.98 -43.29 86.43 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.87 0.367 . . . . 0.0 111.446 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -63.52 -36.63 84.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.175 178.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 59.5 m -60.61 -50.87 71.79 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.991 176.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 87.9 mt -67.43 -40.58 85.51 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.534 -176.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 6.0 p -60.33 -46.36 90.18 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.676 -178.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -60.37 -42.78 96.53 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.755 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 79.5 mt -61.83 -44.38 98.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-O 121.268 0.556 . . . . 0.0 110.298 178.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.503 ' O ' HD23 ' A' ' 104' ' ' LEU . 3.2 tm? -56.61 -51.22 69.52 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.985 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 101' ' ' LEU . 4.1 mm? -60.63 -38.62 85.39 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 111.976 0.362 . . . . 0.0 111.976 -179.161 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -65.35 -33.73 76.66 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 121.084 -0.246 . . . . 0.0 111.035 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -71.48 -38.28 71.22 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.503 HD23 ' O ' ' A' ' 100' ' ' LEU . 4.4 mm? -63.31 -48.74 76.8 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.824 0.345 . . . . 0.0 110.337 178.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.402 ' HA ' ' HD3' ' A' ' 105' ' ' LYS . 57.0 mmtt -61.81 -35.33 77.88 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.686 ' O ' ' HG2' ' A' ' 110' ' ' LYS . 34.7 tt0 -66.02 -38.13 87.64 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 177.407 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 37.6 m -61.23 -48.85 79.59 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.27 178.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -51.38 -47.49 62.85 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.531 175.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.578 ' HA ' ' HE2' ' A' ' 112' ' ' LYS . 63.4 tt0 -59.39 -42.15 91.06 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.341 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.686 ' HG2' ' O ' ' A' ' 106' ' ' GLU . 13.8 mmmm -64.63 -49.17 72.11 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.212 0.529 . . . . 0.0 110.9 -178.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 35.1 m -65.23 -40.81 89.88 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.658 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.576 -176.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.578 ' HE2' ' HA ' ' A' ' 109' ' ' GLN . 50.4 pttt -75.35 -14.95 60.51 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.975 0.417 . . . . 0.0 111.11 178.256 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -78.65 -24.73 45.06 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.552 177.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.451 HD11 ' OD1' ' A' ' 44' ' ' ASN . 1.5 mp -68.29 120.38 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 176.288 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -72.03 124.8 25.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.162 0.506 . . . . 0.0 111.074 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 55.5 p -122.19 -163.74 1.1 Allowed 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.098 179.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.51 ' HB2' ' HD2' ' A' ' 49' ' ' LYS . 49.4 mt-30 . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.451 -0.785 . . . . 0.0 109.606 175.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.434 HD13 ' HA ' ' A' ' 77' ' ' LEU . 49.0 mt . . . . . 0 CA--C 1.537 0.458 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.461 HD11 ' CD1' ' A' ' 90' ' ' TYR . 33.0 mm -67.09 -35.93 75.7 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.633 0 C-N-CA 121.148 -0.221 . . . . 0.0 111.506 -177.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.2 mp0 -57.24 -44.32 83.74 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 120.836 0.35 . . . . 0.0 110.445 178.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -68.31 -40.1 81.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.037 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.435 ' HB2' ' CD2' ' A' ' 73' ' ' LEU . . . -67.95 -38.22 82.55 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 121.509 0.671 . . . . 0.0 110.435 178.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.473 ' HA ' HG12 ' A' ' 26' ' ' ILE . 16.5 t-20 -66.87 -38.61 86.65 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.444 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -62.72 -43.38 98.95 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.384 177.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.52 -50.2 73.68 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 115.925 -0.58 . . . . 0.0 112.02 178.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.473 HG12 ' HA ' ' A' ' 23' ' ' ASN . 39.1 pt -67.14 -31.37 52.91 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.393 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.213 -179.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -59.1 -55.19 38.22 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-O 121.392 0.615 . . . . 0.0 109.425 175.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -62.94 -39.8 95.7 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.704 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.5 -43.09 99.77 Favored Glycine 0 C--N 1.334 0.463 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.517 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -60.05 -47.76 84.54 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.303 0.573 . . . . 0.0 110.748 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -63.65 -48.19 78.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.172 -177.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -68.37 -33.04 73.56 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.407 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.554 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 1.4 tm? -64.19 -46.92 81.83 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 178.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.0 mt -63.52 -31.5 72.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.156 0.503 . . . . 0.0 109.681 179.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -68.79 -53.18 23.18 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.87 178.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.97 -32.36 72.8 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 116.354 -0.384 . . . . 0.0 112.032 -177.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.554 ' HG3' ' O ' ' A' ' 33' ' ' LEU . 84.3 mt-30 -63.18 -30.09 71.31 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.19 177.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -72.29 -32.82 66.94 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.345 176.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -67.2 -44.96 78.29 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 177.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.493 HD22 HG23 ' A' ' 107' ' ' THR . 54.1 tp -52.91 -47.26 68.1 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.728 175.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -59.14 -41.38 88.12 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.518 0.675 . . . . 0.0 110.216 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -62.74 -44.75 95.41 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.141 178.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -63.54 -35.96 82.21 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 123.145 0.578 . . . . 0.0 111.455 -177.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -60.52 -38.31 83.97 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.127 0.489 . . . . 0.0 110.589 -177.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -89.86 -39.4 13.09 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.653 -179.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -71.64 -37.22 70.87 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -176.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? 53.35 101.64 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.937 0 CA-C-O 122.005 0.907 . . . . 0.0 111.944 -176.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.427 ' HB2' ' HB3' ' A' ' 51' ' ' LEU . 12.6 m -156.11 117.66 3.92 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 114.621 -1.172 . . . . 0.0 111.978 -177.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.675 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -60.61 -42.23 96.38 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 121.006 0.432 . . . . 0.0 110.085 177.895 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.493 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 9.1 pt-20 -64.51 -38.98 92.89 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.132 178.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.427 ' HB3' ' HB2' ' A' ' 48' ' ' SER . 47.2 tp -68.65 -39.52 80.64 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.352 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.584 ' HG3' HG22 ' A' ' 111' ' ' VAL . 50.4 tt0 -59.92 -44.54 94.25 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.378 177.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' A' ' 49' ' ' LYS . 46.2 mt-10 -59.9 -45.11 93.59 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.435 178.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.493 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 45.2 mmtm -60.4 -45.68 92.69 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.003 0.43 . . . . 0.0 110.712 179.317 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 69.6 mt -61.25 -53.52 47.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.453 -178.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.411 HG22 ' O ' ' A' ' 52' ' ' GLN . 12.5 tt -66.05 -35.2 74.47 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 120.981 -0.288 . . . . 0.0 111.471 -178.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -67.46 -47.53 69.84 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 111.558 0.207 . . . . 0.0 111.558 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.441 ' HA ' HG12 ' A' ' 61' ' ' VAL . 28.5 tt0 -71.55 -34.35 69.92 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 120.125 -0.63 . . . . 0.0 111.071 179.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 23.5 tp -62.88 -46.43 87.9 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.314 0.578 . . . . 0.0 109.651 179.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -61.06 -48.21 82.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.806 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.441 HG12 ' HA ' ' A' ' 58' ' ' GLU . 10.0 p -63.42 -35.89 74.11 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.662 0 CA-C-O 120.81 0.338 . . . . 0.0 110.908 -178.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 53.8 t -69.17 -40.64 80.75 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.172 0 CA-C-N 116.353 -0.385 . . . . 0.0 109.969 176.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 45.3 t -62.84 -39.42 94.29 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.851 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.48 -46.69 72.22 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.762 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.451 ' HG3' HD12 ' A' ' 66' ' ' ILE . 23.5 ptp -67.32 -35.13 78.8 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.587 -178.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.451 HD12 ' HG3' ' A' ' 65' ' ' MET . 1.5 mp -67.75 -43.35 86.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.546 177.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -69.51 -38.02 77.41 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -179.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.51 -46.9 88.96 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.78 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.62 -38.41 86.88 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.676 0.274 . . . . 0.0 110.441 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.647 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 15.8 mt-30 -62.48 -44.86 95.37 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.755 179.043 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.04 -43.56 95.6 Favored Glycine 0 C--O 1.238 0.347 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.334 -178.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.25 -56.23 16.05 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 121.199 0.523 . . . . 0.0 110.64 -178.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.518 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 47.3 tp -61.39 -38.76 88.23 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.603 -178.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.647 ' HB2' ' O ' ' A' ' 70' ' ' GLN . 1.5 tm-20 -55.42 -52.3 64.04 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.849 0.357 . . . . 0.0 110.2 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -58.99 -38.7 79.76 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.994 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -69.96 -54.71 12.08 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.332 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 3.7 pp -60.85 -23.65 65.29 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -179.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.423 ' HD3' ' HA ' ' A' ' 78' ' ' LYS . 23.9 mmtp -69.74 -19.58 63.54 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.198 0.523 . . . . 0.0 111.188 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 . . . . . 0 C--N 1.318 -0.783 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.116 -177.273 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 63.9 tp . . . . . 0 N--CA 1.45 -0.435 0 CA-C-O 120.723 0.296 . . . . 0.0 110.593 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -55.71 -47.41 76.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.138 -0.483 . . . . 0.0 112.134 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -61.83 -42.6 99.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.016 0.436 . . . . 0.0 110.75 -178.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -63.48 -45.62 89.9 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.704 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -59.97 -47.46 85.73 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.208 179.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.461 ' CD1' HD11 ' A' ' 19' ' ' ILE . 5.3 m-30 -55.7 -50.08 71.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.473 177.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -57.51 -49.66 75.59 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.711 -179.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -67.03 -40.02 87.13 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.355 -177.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.49 -43.82 96.18 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 121.125 0.488 . . . . 0.0 109.795 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.435 ' O ' ' HG3' ' A' ' 98' ' ' LYS . 9.2 mm-40 -64.56 -34.52 78.44 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.969 177.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.517 ' O ' HG13 ' A' ' 99' ' ' ILE . 88.5 m -63.2 -49.14 75.39 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.48 176.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 89.2 mt -69.43 -38.63 77.93 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.35 -176.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.437 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 7.9 p -61.61 -43.88 98.04 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 120.681 0.277 . . . . 0.0 111.125 -179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 94' ' ' GLN . 61.2 mttp -61.29 -34.52 75.33 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.412 177.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.517 HG13 ' O ' ' A' ' 95' ' ' THR . 84.9 mt -66.81 -48.36 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-O 121.164 0.507 . . . . 0.0 110.048 178.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.484 ' O ' HD23 ' A' ' 104' ' ' LEU . 90.5 mt -58.79 -49.24 78.41 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.951 -179.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 97' ' ' SER . 94.5 mt -56.0 -41.08 74.31 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.871 179.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -68.15 -33.48 74.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.356 178.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -75.59 -37.73 59.63 Favored 'General case' 0 C--O 1.24 0.605 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.22 -179.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.504 HD13 HD23 ' A' ' 33' ' ' LEU . 4.6 mm? -62.03 -50.44 72.01 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.128 0.49 . . . . 0.0 109.686 175.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -58.23 -33.22 69.1 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.479 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.659 ' O ' ' HG2' ' A' ' 110' ' ' LYS . 9.1 mm-40 -67.16 -39.46 86.5 Favored 'General case' 0 CA--C 1.51 -0.586 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 176.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.493 HG23 HD22 ' A' ' 40' ' ' LEU . 38.2 m -63.4 -45.82 89.26 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.62 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.582 ' HG2' ' HD3' ' A' ' 112' ' ' LYS . 19.8 tt0 -51.11 -49.23 61.15 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.023 176.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -60.28 -38.53 83.86 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.16 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.659 ' HG2' ' O ' ' A' ' 106' ' ' GLU . 70.7 mmtt -65.32 -49.06 70.88 Favored 'General case' 0 C--O 1.242 0.703 0 CA-C-O 121.361 0.601 . . . . 0.0 111.607 -177.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.584 HG22 ' HG3' ' A' ' 52' ' ' GLN . 12.1 p -65.55 -38.94 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.483 -178.221 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.582 ' HD3' ' HG2' ' A' ' 108' ' ' GLU . 47.7 mtpt -71.02 -15.63 62.57 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 175.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -83.82 -22.08 31.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.147 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.3 mp -74.83 122.96 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-O 121.419 0.628 . . . . 0.0 110.168 176.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -81.76 124.22 29.44 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.763 176.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.4 p -126.19 175.55 7.7 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.608 -178.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 . . . . . 0 C--O 1.253 1.24 0 O-C-N 123.921 0.763 . . . . 0.0 110.833 -179.614 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.2 mp . . . . . 0 N--CA 1.476 0.871 0 CA-C-O 120.703 0.287 . . . . 0.0 111.717 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.466 HD11 ' CD1' ' A' ' 90' ' ' TYR . 21.8 mm -60.77 -34.01 57.41 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.25 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.13 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -62.27 -49.13 76.92 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.766 -179.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -62.3 -46.08 90.35 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.443 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.45 -41.82 85.99 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 121.021 0.439 . . . . 0.0 110.982 176.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.441 ' HA ' HG12 ' A' ' 26' ' ' ILE . 28.0 t-20 -63.51 -41.59 98.52 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 179.167 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -61.38 -42.67 99.09 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.566 177.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.14 -45.92 86.4 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.752 -0.204 . . . . 0.0 111.533 178.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.441 HG12 ' HA ' ' A' ' 23' ' ' ASN . 33.3 pt -67.62 -33.8 64.19 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.16 0 C-N-CA 120.543 -0.463 . . . . 0.0 111.316 -179.309 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -60.52 -42.41 96.39 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 174.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -67.11 -46.25 74.75 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.143 177.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.427 ' O ' ' HG3' ' A' ' 32' ' ' GLN . . . -60.11 -43.65 98.1 Favored Glycine 0 C--O 1.221 -0.668 0 N-CA-C 111.885 -0.486 . . . . 0.0 111.885 -178.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.503 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 41.8 tt0 -59.06 -45.01 91.88 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.227 0.537 . . . . 0.0 110.387 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -67.05 -43.76 81.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.355 -178.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -69.94 -31.57 69.4 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.894 -0.323 . . . . 0.0 110.32 -179.886 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.476 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 1.8 tm? -65.85 -47.25 75.56 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 177.056 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 30' ' ' GLU . 96.3 mt -63.64 -33.85 76.53 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -68.34 -51.2 47.1 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.662 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.85 -34.33 75.78 Favored 'General case' 0 C--N 1.338 0.084 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.833 -178.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.476 ' HG3' ' O ' ' A' ' 33' ' ' LEU . 89.3 mt-30 -65.58 -26.98 68.1 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.265 0.555 . . . . 0.0 110.534 178.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -72.2 -32.93 67.23 Favored 'General case' 0 C--O 1.245 0.826 0 CA-C-O 121.376 0.608 . . . . 0.0 109.598 175.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -68.6 -40.95 80.23 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 177.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.0 tp -52.15 -45.09 64.9 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.243 173.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -56.84 -42.56 79.89 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.983 0.42 . . . . 0.0 110.455 178.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -66.14 -46.64 76.8 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.333 177.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.5 tp -56.07 -41.22 74.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.369 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -60.45 -32.63 71.56 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.106 0.479 . . . . 0.0 111.097 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -84.45 -45.11 13.01 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.691 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.503 ' HB3' ' OG ' ' A' ' 48' ' ' SER . 94.7 m-20 -77.99 -33.18 51.43 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.298 -0.41 . . . . 0.0 112.091 -177.111 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt 57.04 20.41 5.43 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.29 -175.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.503 ' OG ' ' HB3' ' A' ' 46' ' ' ASN . 13.6 m -65.68 118.79 10.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.391 -177.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.559 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -62.21 -43.46 98.79 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.838 -179.246 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.491 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 10.5 pt-20 -61.84 -43.67 98.38 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 121.202 -0.199 . . . . 0.0 110.772 179.089 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.6 tp -59.51 -41.9 90.97 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 176.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -58.22 -44.58 88.26 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.262 177.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 7.4 mm-40 -59.05 -50.35 74.4 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.948 179.368 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 10.5 mmpt? -60.36 -47.33 86.53 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.416 -179.487 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 68.0 mt -60.04 -51.79 68.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.01 -177.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.485 ' O ' HD13 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -69.83 -35.86 67.0 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 C-N-CA 121.068 -0.253 . . . . 0.0 111.462 -177.517 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.432 ' O ' HG23 ' A' ' 61' ' ' VAL . 6.2 mpt_? -65.99 -52.49 48.96 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -179.391 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.479 ' O ' HG23 ' A' ' 62' ' ' VAL . 31.1 tt0 -66.42 -33.17 75.11 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.32 -179.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 23.1 tp -62.52 -43.63 98.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.01 0.433 . . . . 0.0 110.02 178.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.59 ' HA ' ' SG ' ' A' ' 63' ' ' CYS . 32.0 t70 -62.24 -39.32 92.47 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.162 178.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 57' ' ' ARG . 67.2 t -64.04 -46.42 93.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.083 178.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 58' ' ' GLU . 59.7 t -64.35 -41.84 93.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.577 -178.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.59 ' SG ' ' HA ' ' A' ' 60' ' ' ASP . 11.8 p -70.78 -30.47 66.95 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 119.932 -0.707 . . . . 0.0 110.613 -178.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.57 -47.83 62.31 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.386 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.468 ' HG3' HD12 ' A' ' 66' ' ' ILE . 22.4 ptp -63.07 -35.78 81.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.944 0.402 . . . . 0.0 110.215 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.468 HD12 ' HG3' ' A' ' 65' ' ' MET . 1.5 mp -66.52 -39.27 83.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.641 177.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -66.16 -35.81 81.46 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.138 0.494 . . . . 0.0 110.319 179.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.74 -48.32 62.34 Favored Glycine 0 N--CA 1.443 -0.855 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.977 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.457 ' O ' ' HG ' ' A' ' 73' ' ' LEU . . . -67.06 -39.36 86.88 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.738 -0.231 . . . . 0.0 110.391 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.51 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 0.3 OUTLIER -57.96 -41.67 83.37 Favored 'General case' 0 C--O 1.215 -0.738 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 179.376 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.52 -42.5 93.58 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.55 -0.75 . . . . 0.0 112.505 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.71 -59.75 3.3 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 120.804 0.335 . . . . 0.0 111.402 -177.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 69' ' ' ALA . 4.5 pp -59.66 -34.55 72.98 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.703 -178.073 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.51 ' HB2' ' O ' ' A' ' 70' ' ' GLN . 0.2 OUTLIER -60.37 -53.05 62.23 Favored 'General case' 0 C--O 1.22 -0.451 0 O-C-N 123.312 0.382 . . . . 0.0 110.279 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -58.76 -36.36 74.25 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.169 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -68.98 -55.24 11.49 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.095 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.661 ' HB2' ' CE2' ' A' ' 90' ' ' TYR . 4.4 pp -61.0 -21.64 63.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.128 0.49 . . . . 0.0 112.014 -179.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 64.9 mmtt -74.81 -9.81 58.9 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.322 -179.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 . . . . . 0 N--CA 1.465 0.305 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.77 -176.009 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.7 tm? . . . . . 0 C--O 1.233 0.197 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -57.0 -44.56 82.87 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.911 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 87' ' ' ARG . 48.8 mtm105 -61.49 -40.97 96.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.114 0.483 . . . . 0.0 111.115 -179.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -62.88 -44.18 96.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.38 178.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -65.97 -47.34 74.88 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.032 178.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.661 ' CE2' ' HB2' ' A' ' 77' ' ' LEU . 4.0 m-30 -54.75 -54.34 43.32 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.061 0.458 . . . . 0.0 110.839 177.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -58.1 -46.85 84.84 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.529 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -63.77 -47.75 79.71 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 121.096 -0.242 . . . . 0.0 111.45 -178.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.06 -46.4 82.49 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 120.603 0.24 . . . . 0.0 110.963 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.445 ' O ' ' HG3' ' A' ' 98' ' ' LYS . 28.5 mm-40 -64.68 -36.08 83.1 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.899 178.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.524 ' O ' HD13 ' A' ' 99' ' ' ILE . 86.0 m -59.03 -44.92 91.81 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.065 0.46 . . . . 0.0 109.76 177.067 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 79.3 mt -70.74 -37.29 73.46 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.897 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.479 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 50.1 m -59.5 -51.44 69.85 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.282 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 94' ' ' GLN . 52.8 mtmt -60.88 -42.79 98.62 Favored 'General case' 0 C--N 1.34 0.173 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.92 -178.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.524 HD13 ' O ' ' A' ' 95' ' ' THR . 1.6 mp -61.36 -43.14 96.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.746 179.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.407 ' O ' HD23 ' A' ' 104' ' ' LEU . 79.1 mt -65.15 -45.67 84.04 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.967 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.519 ' O ' ' HG2' ' A' ' 105' ' ' LYS . 86.5 mt -58.01 -40.6 81.2 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.364 179.049 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -60.57 -48.11 83.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.172 177.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.15 -30.7 71.24 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.935 -0.306 . . . . 0.0 111.266 -177.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.407 HD23 ' O ' ' A' ' 100' ' ' LEU . 3.8 mm? -62.46 -51.24 68.27 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.103 0.478 . . . . 0.0 110.018 175.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.519 ' HG2' ' O ' ' A' ' 101' ' ' LEU . 1.1 mmmp? -61.62 -30.48 70.72 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.902 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -68.13 -41.09 82.19 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.608 0.718 . . . . 0.0 109.235 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.411 ' O ' HG23 ' A' ' 111' ' ' VAL . 48.9 m -62.9 -52.81 61.62 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.963 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.512 ' HG3' ' N ' ' A' ' 109' ' ' GLN . 5.0 pt-20 -54.11 -39.71 66.66 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 121.176 -0.21 . . . . 0.0 111.377 178.297 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.531 ' HA ' ' CD ' ' A' ' 112' ' ' LYS . 78.3 mt-30 -57.56 -40.38 78.81 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.932 178.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -68.9 -42.05 77.43 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.155 0.502 . . . . 0.0 110.919 178.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 107' ' ' THR . 82.5 t -59.22 -50.01 81.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.199 178.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.531 ' CD ' ' HA ' ' A' ' 109' ' ' GLN . 10.3 ptmt -72.31 -14.85 61.85 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.827 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -76.93 -28.73 55.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.346 177.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.441 HG22 HG23 ' A' ' 116' ' ' THR . 1.5 mp -72.23 119.85 19.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.866 0.841 . . . . 0.0 110.735 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.468 ' O ' ' HG2' ' A' ' 115' ' ' GLN . 15.4 pm0 -75.08 119.91 19.88 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 114.547 -1.206 . . . . 0.0 109.117 176.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.441 HG23 HG22 ' A' ' 114' ' ' ILE . 57.7 p -112.07 176.19 5.12 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 120.547 -0.461 . . . . 0.0 112.005 -179.266 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 10.3 tm0? . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.627 -0.702 . . . . 0.0 110.18 -177.546 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.504 HD23 ' HA ' ' A' ' 77' ' ' LEU . 8.9 mp . . . . . 0 C--O 1.236 0.388 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.445 HD11 ' CD1' ' A' ' 90' ' ' TYR . 22.0 mm -63.15 -31.34 52.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.534 -178.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -56.55 -47.5 79.32 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.489 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -69.25 -41.0 77.51 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.507 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.98 -47.39 74.67 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.174 176.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -61.44 -37.16 82.51 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.614 178.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 41.2 t-80 -71.69 -39.07 70.46 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.458 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.27 -45.51 84.22 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.6 pt -64.12 -33.81 64.77 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.145 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.456 179.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -62.11 -45.6 92.76 Favored 'General case' 0 C--O 1.244 0.798 0 CA-C-O 121.317 0.58 . . . . 0.0 109.528 175.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -65.61 -47.47 75.53 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.258 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.48 -43.73 98.47 Favored Glycine 0 C--O 1.222 -0.61 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.349 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.503 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 33.9 tt0 -57.54 -48.14 80.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.644 -0.278 . . . . 0.0 110.789 -179.46 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -67.42 -40.55 85.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.853 -177.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.47 -33.29 69.19 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 120.629 -0.429 . . . . 0.0 110.645 -179.264 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.589 HD23 HD23 ' A' ' 104' ' ' LEU . 1.9 tm? -67.04 -45.6 76.95 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 177.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 30' ' ' GLU . 97.3 mt -64.85 -34.64 78.86 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.937 179.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -68.62 -50.57 50.4 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.813 178.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.41 HD13 ' O ' ' A' ' 36' ' ' LEU . 1.7 tm? -62.33 -35.77 80.1 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.255 -178.282 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.403 ' O ' ' HB3' ' A' ' 40' ' ' LEU . 32.5 tt0 -61.95 -33.43 74.27 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.055 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -68.47 -42.91 78.04 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.867 176.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.406 ' O ' ' HB3' ' A' ' 42' ' ' GLU . 84.4 mm-40 -59.03 -42.1 89.39 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.586 176.165 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.432 HD22 HG23 ' A' ' 107' ' ' THR . 35.2 tp -52.05 -45.1 64.56 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.655 174.341 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -60.01 -39.19 84.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.273 0.558 . . . . 0.0 110.309 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.406 ' HB3' ' O ' ' A' ' 39' ' ' GLN . 14.5 tp10 -64.25 -41.25 97.05 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.197 179.078 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 34.6 tp -66.61 -32.07 73.17 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 120.745 0.307 . . . . 0.0 110.994 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.51 ' O ' ' HE3' ' A' ' 47' ' ' LYS . 12.3 m-80 -60.86 -37.09 80.92 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-O 121.083 0.468 . . . . 0.0 110.782 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -90.26 -40.36 12.2 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.958 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -77.94 -34.67 51.04 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -177.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.51 ' HE3' ' O ' ' A' ' 44' ' ' ASN . 31.9 mmtp 55.56 15.21 1.42 Allowed 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -178.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.0 t -64.23 122.46 16.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.566 0.222 . . . . 0.0 111.478 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.68 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -62.48 -40.67 97.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.22 178.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -60.6 -45.69 93.05 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 177.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.412 ' O ' HG13 ' A' ' 55' ' ' ILE . 50.9 tp -61.15 -40.27 93.21 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 177.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.613 ' OE1' HG22 ' A' ' 111' ' ' VAL . 4.6 tp60 -54.47 -52.7 61.05 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.126 176.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 20.3 mt-10 -58.58 -45.52 88.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.952 -178.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -63.54 -44.51 93.98 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.809 0.338 . . . . 0.0 111.542 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 51' ' ' LEU . 71.6 mt -63.18 -51.37 72.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.733 -178.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 16.3 tt -67.78 -35.45 72.54 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.587 -178.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.463 ' HB2' ' O ' ' A' ' 53' ' ' GLU . 3.9 mpt_? -66.09 -47.93 72.61 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.432 0.158 . . . . 0.0 111.271 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.49 -34.48 75.98 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.694 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 51.2 tp -63.46 -45.35 91.23 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.232 0.539 . . . . 0.0 109.912 178.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -61.81 -49.14 77.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.496 -0.775 . . . . 0.0 112.247 -178.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.5 p -62.27 -37.49 78.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 CA-C-O 120.782 0.325 . . . . 0.0 111.479 -178.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.9 t -72.11 -37.01 58.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.913 0.387 . . . . 0.0 110.005 178.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 46.8 t -64.83 -39.13 93.08 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.02 -48.1 69.4 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.75 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.427 ' HG3' HD12 ' A' ' 66' ' ' ILE . 21.1 ptp -63.04 -37.59 87.81 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.384 -179.261 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.427 HD12 ' HG3' ' A' ' 65' ' ' MET . 1.4 mp -65.04 -42.39 94.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.743 178.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -66.07 -39.73 90.3 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-O 120.906 0.384 . . . . 0.0 110.995 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.91 -46.56 89.02 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.187 -179.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.36 -39.78 85.72 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -62.94 -46.21 88.83 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.866 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.05 -42.09 96.86 Favored Glycine 0 C--O 1.241 0.579 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.141 -177.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.02 -55.17 18.03 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.191 -0.504 . . . . 0.0 110.66 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.477 ' HG ' HD23 ' A' ' 77' ' ' LEU . 34.3 tp -58.27 -41.94 85.44 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.988 -179.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -54.14 -52.23 61.76 Favored 'General case' 0 C--O 1.223 -0.328 0 O-C-N 123.422 0.451 . . . . 0.0 111.06 178.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -58.58 -41.1 84.97 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.618 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -69.41 -55.34 10.6 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.641 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.504 ' HA ' HD23 ' A' ' 18' ' ' LEU . 4.2 pp -59.58 -24.24 63.6 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 120.67 0.272 . . . . 0.0 111.662 -179.106 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.414 ' N ' HD12 ' A' ' 77' ' ' LEU . 14.7 mmtp -70.56 -15.51 62.78 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-O 121.16 0.505 . . . . 0.0 111.083 -177.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.446 ' HE ' ' HA ' ' A' ' 79' ' ' ARG . 2.9 tpm_? . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.656 178.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.1 tm? . . . . . 0 N--CA 1.455 -0.192 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -56.77 -47.42 80.17 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.956 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.484 ' C ' ' HD3' ' A' ' 87' ' ' ARG . 0.9 OUTLIER -61.05 -43.57 98.69 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.091 0.472 . . . . 0.0 110.349 -178.194 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -64.41 -43.5 94.2 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.751 179.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -60.5 -49.38 77.79 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.953 -179.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.445 ' CD1' HD11 ' A' ' 19' ' ' ILE . 6.8 m-30 -54.91 -47.79 73.89 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.923 178.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -58.56 -41.19 85.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.795 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -68.41 -51.2 46.53 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.981 -177.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.49 -39.54 84.11 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.027 0.441 . . . . 0.0 110.608 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.727 ' O ' ' HG2' ' A' ' 98' ' ' LYS . 36.2 tt0 -62.25 -40.85 97.56 Favored 'General case' 0 C--O 1.217 -0.625 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.555 177.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.538 ' O ' HG13 ' A' ' 99' ' ' ILE . 98.1 m -60.79 -45.45 94.36 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.222 179.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 89.7 mt -70.33 -41.1 73.68 Favored 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.076 -177.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 10.5 p -61.07 -39.75 91.07 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 121.108 0.48 . . . . 0.0 111.057 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.727 ' HG2' ' O ' ' A' ' 94' ' ' GLN . 74.2 mmtt -63.33 -35.96 82.1 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.5 178.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.538 HG13 ' O ' ' A' ' 95' ' ' THR . 80.8 mt -63.29 -43.53 98.7 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-O 121.099 0.476 . . . . 0.0 110.003 177.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.516 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 94.0 mt -63.64 -45.39 90.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.966 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.16 -45.04 92.04 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.964 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm -62.76 -43.73 98.03 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.155 178.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -67.23 -33.36 75.19 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.628 -179.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.589 HD23 HD23 ' A' ' 33' ' ' LEU . 97.4 mt -61.04 -50.69 72.29 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 120.957 0.408 . . . . 0.0 109.974 176.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -63.48 -30.42 71.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.8 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -70.69 -39.81 73.28 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 177.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.432 HG23 HD22 ' A' ' 40' ' ' LEU . 57.0 m -68.11 -48.46 65.39 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.007 178.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.401 ' O ' HG12 ' A' ' 111' ' ' VAL . 27.9 tt0 -51.17 -48.02 62.0 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.197 0.522 . . . . 0.0 110.483 175.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -58.11 -41.91 84.61 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.252 178.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.64 -49.42 59.34 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-O 121.661 0.743 . . . . 0.0 111.115 -178.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.613 HG22 ' OE1' ' A' ' 52' ' ' GLN . 9.6 p -61.39 -43.41 96.64 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.643 -177.248 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.472 ' HA ' HE22 ' A' ' 52' ' ' GLN . 15.0 pttp -71.39 -18.6 62.35 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-O 120.761 0.315 . . . . 0.0 110.645 177.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -73.88 -22.62 59.66 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.06 178.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.491 HG22 HG23 ' A' ' 116' ' ' THR . 1.6 mp -73.12 121.87 24.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-O 121.371 0.605 . . . . 0.0 109.705 178.244 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -76.71 119.79 21.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.197 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.491 HG23 HG22 ' A' ' 114' ' ' ILE . 38.4 p -124.77 153.73 41.99 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.522 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.55 ' HB2' ' HD2' ' A' ' 49' ' ' LYS . 38.9 mt-30 . . . . . 0 C--O 1.241 0.623 0 CA-C-O 118.492 -0.766 . . . . 0.0 110.893 176.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.3 mt . . . . . 0 C--O 1.239 0.529 0 CA-C-O 120.975 0.416 . . . . 0.0 111.41 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.482 HD11 ' CD1' ' A' ' 90' ' ' TYR . 39.7 mm -63.04 -25.21 38.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.705 -179.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.582 ' HA ' ' ND2' ' A' ' 23' ' ' ASN . 5.3 tp10 -62.23 -46.39 89.07 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.311 0.577 . . . . 0.0 110.427 178.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -72.02 -25.95 62.02 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.519 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.61 -47.94 24.39 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.983 -178.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.582 ' ND2' ' HA ' ' A' ' 20' ' ' GLU . 6.9 p30 -66.68 -30.52 70.79 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.492 -178.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -71.0 -41.78 70.48 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.564 178.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.98 -47.59 79.8 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.409 HG12 ' HA ' ' A' ' 23' ' ' ASN . 33.9 pt -64.97 -31.99 56.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.177 -179.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -62.37 -46.25 89.5 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-O 121.202 0.525 . . . . 0.0 109.597 176.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -63.85 -39.63 94.67 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.007 177.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.95 -43.72 97.84 Favored Glycine 0 C--N 1.339 0.734 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.996 178.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -56.1 -46.01 79.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.445 0.641 . . . . 0.0 110.119 178.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 53.9 m170 -67.33 -47.36 70.73 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.826 -177.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.4 HE21 ' HB2' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -70.63 -26.43 63.48 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.457 -178.093 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.448 HD23 HD23 ' A' ' 104' ' ' LEU . 1.6 tm? -70.7 -50.19 39.04 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 178.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 pp -66.51 -25.52 66.73 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.464 0.65 . . . . 0.0 110.011 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 92.8 t80 -68.96 -56.98 6.15 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 114.959 -1.018 . . . . 0.0 110.351 178.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.8 mt -63.07 -30.93 71.98 Favored 'General case' 0 CA--C 1.522 -0.098 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.971 -178.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.434 ' HG3' ' O ' ' A' ' 33' ' ' LEU . 95.1 mt-30 -57.42 -38.26 74.08 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.084 0.469 . . . . 0.0 109.822 177.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 65.4 t-80 -64.96 -37.54 87.97 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.552 177.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -72.96 -40.54 65.26 Favored 'General case' 0 N--CA 1.441 -0.881 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.685 -178.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.0 tp -53.1 -43.48 66.87 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.462 173.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.582 ' HA ' ' ND2' ' A' ' 44' ' ' ASN . 19.6 t70 -58.06 -42.8 86.23 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.311 0.577 . . . . 0.0 110.53 177.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -67.3 -47.46 70.52 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.8 178.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.552 HD11 ' HA ' ' A' ' 52' ' ' GLN . 7.7 tt -55.5 -50.65 69.38 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.997 0.919 . . . . 0.0 112.213 -179.207 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.582 ' ND2' ' HA ' ' A' ' 41' ' ' ASP . 11.8 p30 -62.83 -29.54 70.81 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-O 121.236 0.541 . . . . 0.0 111.752 -176.619 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -84.91 -42.11 15.31 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.86 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -75.94 -29.53 58.35 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 115.901 -0.59 . . . . 0.0 112.181 -177.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.475 ' HE3' ' O ' ' A' ' 44' ' ' ASN . 33.5 mmtp 55.32 15.62 1.43 Allowed 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 114.433 1.271 . . . . 0.0 114.433 179.035 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 66.2 m -69.03 123.52 21.25 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.593 ' O ' ' HB3' ' A' ' 52' ' ' GLN . 16.8 pttp -61.37 -46.21 91.16 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.5 0.72 . . . . 0.0 112.123 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.442 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 3.7 mt-10 -63.46 -42.12 98.63 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 120.483 0.182 . . . . 0.0 111.102 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 44.4 tp -60.84 -40.86 94.45 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 176.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.593 ' HB3' ' O ' ' A' ' 49' ' ' LYS . 6.8 tp60 -54.25 -50.7 66.6 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.614 177.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -59.43 -44.21 92.95 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.04 -178.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 43.6 mmtm -68.84 -44.54 73.19 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -178.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.5 mp -57.67 -49.61 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 CA-C-O 120.636 0.255 . . . . 0.0 111.137 -179.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 16.8 tt -66.95 -30.71 50.5 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.528 0 CA-C-O 121.013 0.435 . . . . 0.0 110.662 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.49 ' HD2' ' HA ' ' A' ' 57' ' ' ARG . 18.2 tpt85 -66.94 -52.65 40.38 Favored 'General case' 0 N--CA 1.426 -1.668 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.623 -178.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.408 ' O ' HG23 ' A' ' 62' ' ' VAL . 35.4 mt-10 -67.41 -32.08 72.72 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.421 -0.512 . . . . 0.0 111.105 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 46.2 tp -63.45 -44.6 94.03 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 121.027 0.441 . . . . 0.0 109.996 178.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.517 ' HA ' ' SG ' ' A' ' 63' ' ' CYS . 28.3 t70 -59.79 -43.46 94.41 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.278 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 66.4 t -62.59 -48.08 89.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.926 0.394 . . . . 0.0 111.477 178.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 58' ' ' GLU . 93.7 t -65.41 -42.5 93.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.918 -178.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.517 ' SG ' ' HA ' ' A' ' 60' ' ' ASP . 24.6 p -66.16 -32.41 73.83 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 119.985 -0.686 . . . . 0.0 110.554 -178.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.0 -51.75 55.52 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.371 177.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.462 ' HG3' HD12 ' A' ' 66' ' ' ILE . 22.9 ptp -63.12 -37.92 89.12 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.916 -178.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.48 ' O ' ' HB2' ' A' ' 70' ' ' GLN . 1.4 mp -65.25 -46.09 91.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.355 179.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -69.37 -35.76 76.15 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -178.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.61 -48.23 69.82 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.275 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.01 -37.91 78.96 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.48 ' HB2' ' O ' ' A' ' 66' ' ' ILE . 5.7 tt0 -60.18 -44.59 94.94 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-O 121.366 0.603 . . . . 0.0 109.727 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -68.94 -42.64 77.27 Favored Glycine 0 C--O 1.241 0.569 0 CA-C-N 115.052 -0.976 . . . . 0.0 112.86 -178.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.58 -54.35 29.08 Favored 'General case' 0 C--O 1.244 0.788 0 CA-C-O 121.112 0.482 . . . . 0.0 110.82 -177.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.496 ' HG ' HD23 ' A' ' 77' ' ' LEU . 35.0 tp -60.1 -40.22 88.9 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.298 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.565 ' OE2' HD11 ' A' ' 77' ' ' LEU . 1.6 mm-40 -54.48 -52.38 62.08 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.979 0.419 . . . . 0.0 110.939 179.245 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -57.4 -41.71 80.82 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.743 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -70.33 -56.18 7.35 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.761 -178.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.565 HD11 ' OE2' ' A' ' 74' ' ' GLU . 3.9 pp -60.09 -22.92 63.36 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -178.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.488 ' N ' HD12 ' A' ' 77' ' ' LEU . 30.5 mmtm -69.24 -11.38 60.75 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -178.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 73.2 ttt-85 . . . . . 0 N--CA 1.46 0.068 0 CA-C-O 120.766 0.317 . . . . 0.0 111.115 -178.072 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.0 tm? . . . . . 0 CA--C 1.519 -0.232 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -60.46 -40.65 91.94 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.587 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 33.6 mtp180 -57.67 -51.89 67.66 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-O 121.516 0.675 . . . . 0.0 110.245 177.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -60.14 -43.07 95.99 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 114.615 -1.175 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.73 -50.05 68.43 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.234 -178.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.482 ' CD1' HD11 ' A' ' 19' ' ' ILE . 10.2 m-30 -55.58 -49.64 72.2 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.856 177.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.56 -49.46 72.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.331 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -68.14 -40.56 82.41 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -177.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.83 -46.69 86.77 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 120.746 0.308 . . . . 0.0 110.549 -178.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.414 ' HA ' ' OG ' ' A' ' 97' ' ' SER . 6.0 tp-100 -65.62 -32.29 73.78 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.183 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.456 ' O ' HG13 ' A' ' 99' ' ' ILE . 86.7 m -61.39 -47.39 86.01 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.655 176.066 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 88.2 mt -68.45 -38.31 81.01 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.751 -0.204 . . . . 0.0 111.528 -178.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.478 ' HB2' ' OE1' ' A' ' 70' ' ' GLN . 11.5 p -61.5 -43.33 99.07 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 120.962 0.411 . . . . 0.0 111.168 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -61.66 -37.39 83.87 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.704 177.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 95' ' ' THR . 89.4 mt -63.83 -47.71 89.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 CA-C-O 121.091 0.472 . . . . 0.0 110.064 178.125 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 97.3 mt -61.3 -46.01 92.08 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.684 -179.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.426 ' O ' ' HD2' ' A' ' 105' ' ' LYS . 4.0 mm? -62.22 -41.16 98.13 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.835 179.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -56.39 -52.16 65.66 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 176.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.56 -37.01 82.27 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -179.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.448 HD23 HD23 ' A' ' 33' ' ' LEU . 97.3 mt -64.96 -50.72 65.27 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 118.202 0.455 . . . . 0.0 109.999 176.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.643 ' O ' ' HG3' ' A' ' 109' ' ' GLN . 1.0 OUTLIER -58.7 -34.38 71.23 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.086 178.178 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.558 ' O ' ' HD3' ' A' ' 110' ' ' LYS . 42.9 tt0 -66.58 -39.39 88.43 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.922 0.392 . . . . 0.0 110.098 177.197 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.483 ' O ' HG23 ' A' ' 111' ' ' VAL . 63.5 m -61.11 -53.92 51.06 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.534 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -55.37 -37.96 68.21 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 111.565 0.209 . . . . 0.0 111.565 178.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.643 ' HG3' ' O ' ' A' ' 105' ' ' LYS . 97.9 mt-30 -56.63 -47.82 78.85 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 120.872 0.368 . . . . 0.0 110.332 176.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.558 ' HD3' ' O ' ' A' ' 106' ' ' GLU . 12.7 mptt -68.01 -41.05 82.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.27 -178.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 107' ' ' THR . 80.9 t -57.47 -53.24 46.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.048 177.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -65.74 -20.37 66.25 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.321 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -71.99 -30.57 65.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.966 179.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.526 HG12 ' HA ' ' A' ' 44' ' ' ASN . 1.7 mp -72.82 119.26 19.31 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 CA-C-O 121.486 0.66 . . . . 0.0 110.642 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -74.89 123.82 25.77 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.627 176.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.478 HG23 HG22 ' A' ' 114' ' ' ILE . 34.0 p -126.01 157.15 38.61 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 178.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.52 ' HB2' ' HD3' ' A' ' 49' ' ' LYS . 14.8 mm100 . . . . . 0 C--N 1.323 -0.566 0 CA-C-O 118.666 -0.683 . . . . 0.0 111.395 177.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.5 mt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.876 0.37 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.4 ' HA ' HD13 ' A' ' 19' ' ' ILE . 20.6 mm -68.12 -43.63 84.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.216 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.02 -42.7 76.87 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-O 120.941 0.4 . . . . 0.0 110.989 177.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -63.65 -50.96 67.25 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.418 178.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.74 -38.86 82.89 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.433 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -59.72 -36.34 76.36 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.586 179.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -70.0 -43.6 71.06 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.326 178.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.67 -44.17 87.11 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -178.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 36.8 pt -66.07 -37.13 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.114 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.995 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -62.91 -41.04 99.32 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 176.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -68.64 -47.22 67.15 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.521 ' O ' ' HG3' ' A' ' 32' ' ' GLN . . . -60.74 -42.9 99.6 Favored Glycine 0 C--O 1.224 -0.489 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.541 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.556 ' O ' HD23 ' A' ' 34' ' ' LEU . 28.7 tt0 -60.79 -44.39 96.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.224 0.535 . . . . 0.0 110.263 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -62.31 -44.19 97.08 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.003 -178.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.521 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -70.47 -23.62 62.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.814 179.812 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.49 HD11 ' OD1' ' A' ' 103' ' ' ASP . 2.5 tm? -68.79 -46.39 68.83 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 177.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.556 HD23 ' O ' ' A' ' 30' ' ' GLU . 4.1 mm? -64.93 -28.48 69.56 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.565 0.698 . . . . 0.0 109.469 177.211 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -69.51 -58.74 3.59 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.747 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.7 mt -63.79 -33.45 75.7 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.873 -178.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -58.42 -36.0 72.94 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 120.882 0.372 . . . . 0.0 110.069 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -68.78 -40.76 79.5 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.353 176.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -58.96 -41.82 88.41 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.742 176.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.1 tp -52.02 -47.61 64.91 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.876 173.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -57.32 -39.45 75.85 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.087 0.47 . . . . 0.0 110.699 178.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -67.31 -44.31 79.51 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.492 -0.777 . . . . 0.0 109.89 177.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 46.5 tp -54.69 -38.03 66.5 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.091 -0.959 . . . . 0.0 111.189 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -57.59 -36.01 71.17 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.232 0.539 . . . . 0.0 111.055 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -82.15 -46.65 13.51 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.157 -178.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -78.22 -36.71 46.82 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -175.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp 62.04 21.94 12.73 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 -174.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.7 t -64.29 116.83 6.42 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.294 -177.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.721 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -60.68 -37.59 82.11 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.415 176.357 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.437 ' CD ' ' HE2' ' A' ' 49' ' ' LYS . 5.2 mp0 -64.82 -45.29 86.81 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.722 178.484 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 49.4 tp -63.06 -40.02 96.46 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 177.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.13 -48.64 79.62 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.974 176.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -56.2 -49.68 73.38 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 123.777 0.831 . . . . 0.0 111.349 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.403 ' HE2' ' HB3' ' A' ' 54' ' ' LYS . 50.4 mtpt -62.41 -46.31 89.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.219 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.526 HG21 HG11 ' A' ' 111' ' ' VAL . 81.4 mt -61.75 -50.21 81.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.724 -178.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 22.7 mm -58.4 -46.16 89.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-O 120.825 0.345 . . . . 0.0 110.866 178.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 57' ' ' ARG . 1.6 mpt_? -67.42 -51.33 53.09 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -176.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.422 ' O ' HG23 ' A' ' 62' ' ' VAL . 44.3 mt-10 -70.01 -34.74 73.68 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 120.222 -0.591 . . . . 0.0 111.934 -178.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 23.5 tp -64.62 -46.31 83.13 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 178.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -60.94 -45.44 94.71 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.869 -179.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.409 HG22 ' HA ' ' A' ' 58' ' ' GLU . 31.2 m -64.52 -37.84 81.08 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.178 -178.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.497 HG11 ' NE2' ' A' ' 32' ' ' GLN . 91.2 t -70.27 -39.06 76.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 177.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.454 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 94.3 m -61.12 -41.96 97.66 Favored 'General case' 0 C--O 1.219 -0.511 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.036 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.62 -49.69 67.78 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.621 -178.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 22.5 ptp -66.63 -34.69 78.44 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.757 -179.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.4 mp -68.42 -43.9 83.75 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.581 177.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 63' ' ' CYS . 51.4 mt-10 -64.54 -34.54 78.47 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 121.226 0.536 . . . . 0.0 109.729 178.361 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.35 -45.86 82.81 Favored Glycine 0 N--CA 1.435 -1.41 0 CA-C-N 115.192 -0.913 . . . . 0.0 112.053 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.556 ' O ' ' HG ' ' A' ' 73' ' ' LEU . . . -72.02 -46.42 57.18 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.929 -0.136 . . . . 0.0 111.192 -179.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.421 HE21 ' HB2' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -60.79 -39.16 87.84 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-O 120.878 0.37 . . . . 0.0 110.159 -177.551 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -68.86 -41.59 82.04 Favored Glycine 0 C--O 1.239 0.424 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.036 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.56 -55.9 15.21 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.968 -0.616 . . . . 0.0 111.133 -178.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.649 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 4.3 pp -63.55 -35.28 79.97 Favored 'General case' 0 C--O 1.206 -1.206 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.571 -178.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.487 ' N ' HD12 ' A' ' 73' ' ' LEU . 9.3 tp10 -56.27 -53.39 57.75 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 121.318 0.58 . . . . 0.0 110.287 178.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 -60.89 -38.93 87.39 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.079 -179.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -73.6 -54.9 7.09 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.393 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.649 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 3.9 pp -58.51 -24.38 60.38 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -178.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.454 ' N ' HD12 ' A' ' 77' ' ' LEU . 12.0 mmtp -70.78 -20.06 62.64 Favored 'General case' 0 N--CA 1.437 -1.121 0 C-N-CA 119.897 -0.721 . . . . 0.0 111.487 -177.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 . . . . . 0 CA--C 1.512 -0.493 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.24 178.143 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 54.8 tp . . . . . 0 CA--C 1.517 -0.301 0 CA-C-O 120.761 0.315 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.17 -37.86 78.39 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.212 179.244 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 18.8 tpp85 -57.36 -49.75 75.17 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.252 0.549 . . . . 0.0 109.751 177.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -61.49 -44.35 97.23 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.58 179.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -58.79 -52.83 64.02 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.938 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.4 ' CD2' HD13 ' A' ' 77' ' ' LEU . 8.6 m-30 -55.52 -54.25 46.3 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.269 179.112 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.78 -37.94 80.48 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.319 -179.248 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -66.49 -47.18 73.85 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.556 178.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.2 -41.0 87.5 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 120.89 0.376 . . . . 0.0 110.518 178.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.523 ' O ' ' HG2' ' A' ' 98' ' ' LYS . 34.6 tt0 -61.0 -40.79 94.88 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.823 177.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.512 ' HA ' ' HE2' ' A' ' 98' ' ' LYS . 79.9 m -60.7 -50.2 74.44 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.107 178.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.428 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 86.9 mt -68.54 -40.12 80.82 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.27 -176.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.472 ' O ' HD23 ' A' ' 101' ' ' LEU . 16.6 p -60.74 -49.72 76.36 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -177.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' A' ' 94' ' ' GLN . 59.1 pttt -65.64 -30.46 71.17 Favored 'General case' 0 C--N 1.338 0.09 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.215 -178.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 95' ' ' THR . 74.8 mt -64.37 -43.06 97.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-O 121.145 0.498 . . . . 0.0 109.698 175.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 96' ' ' LEU . 94.2 mt -62.17 -44.36 96.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.361 179.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.472 HD23 ' O ' ' A' ' 97' ' ' SER . 4.3 mm? -55.98 -40.29 73.07 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.711 178.131 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 98' ' ' LYS . 51.3 mtmt -67.85 -35.89 79.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.403 179.28 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.49 ' OD1' HD11 ' A' ' 33' ' ' LEU . 4.6 t70 -70.51 -35.49 73.23 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.055 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 11.0 mp -63.95 -43.67 95.13 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 176.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.561 ' HA ' ' HG2' ' A' ' 108' ' ' GLU . 73.3 mmtt -63.24 -30.26 71.44 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.646 178.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -68.06 -40.72 82.73 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 176.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 26.1 m -65.74 -53.91 34.26 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.584 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.561 ' HG2' ' HA ' ' A' ' 105' ' ' LYS . 9.3 pt-20 -56.38 -37.29 69.88 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.343 178.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -57.17 -49.61 75.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.01 0.433 . . . . 0.0 110.737 177.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 35.5 mttp -64.19 -40.86 96.99 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -177.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.526 HG11 HG21 ' A' ' 55' ' ' ILE . 32.5 m -66.11 -34.92 73.44 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 C-N-CA 120.33 -0.548 . . . . 0.0 109.859 179.114 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -72.36 -18.13 61.77 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.727 175.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -76.21 -28.66 57.3 Favored 'General case' 0 CA--C 1.506 -0.714 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.717 177.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.7 mp -76.4 112.07 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.133 0.492 . . . . 0.0 110.083 176.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -69.01 126.41 29.72 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.655 176.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 36.8 p -116.47 175.72 5.43 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.341 -178.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 . . . . . 0 C--O 1.253 1.289 0 O-C-N 124.173 0.921 . . . . 0.0 111.603 179.791 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.659 HD13 ' HA ' ' A' ' 77' ' ' LEU . 16.1 mt . . . . . 0 C--O 1.235 0.31 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.553 HD11 ' CD1' ' A' ' 90' ' ' TYR . 14.7 mm -57.91 -35.3 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.347 179.036 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -59.12 -47.4 85.4 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.758 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -72.8 -25.76 61.27 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 121.038 0.447 . . . . 0.0 111.292 -178.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.34 -45.08 41.73 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 121.497 0.665 . . . . 0.0 109.278 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -64.49 -29.85 70.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.453 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -74.66 -45.34 45.32 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.539 178.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.73 -45.69 92.86 Favored 'General case' 0 CA--C 1.523 -0.091 0 N-CA-C 111.622 0.23 . . . . 0.0 111.622 179.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.5 pt -66.5 -32.37 57.74 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.173 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.572 179.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -61.72 -46.42 89.75 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 175.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -63.46 -44.99 92.9 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.014 178.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.62 -44.18 97.07 Favored Glycine 0 C--O 1.221 -0.666 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.357 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.456 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 36.0 tt0 -60.14 -44.86 94.62 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.302 0.572 . . . . 0.0 110.565 -179.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -65.79 -49.99 66.32 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.114 -178.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -29.71 69.66 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.037 -179.216 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.718 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 2.0 tm? -68.43 -50.09 55.25 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 177.517 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 30' ' ' GLU . 98.7 mt -64.31 -35.95 82.54 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.955 0.407 . . . . 0.0 110.502 -177.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -66.3 -49.4 67.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.523 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.4 ' O ' HD23 ' A' ' 36' ' ' LEU . 3.4 tt -62.96 -31.12 72.16 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.822 -179.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.718 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 14.2 mm-40 -58.16 -33.14 68.88 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.054 0.455 . . . . 0.0 110.266 177.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -71.81 -31.76 66.89 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.226 179.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.438 ' O ' ' HB3' ' A' ' 42' ' ' GLU . 28.1 mm-40 -72.28 -41.36 66.76 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.132 0.491 . . . . 0.0 110.285 178.068 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -52.01 -46.29 64.89 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.549 174.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -58.57 -41.27 85.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.085 178.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.438 ' HB3' ' O ' ' A' ' 39' ' ' GLN . 4.7 tp10 -61.45 -43.39 98.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.898 179.301 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.421 ' CD2' HG23 ' A' ' 111' ' ' VAL . 48.5 tp -64.73 -31.61 72.92 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 120.769 0.318 . . . . 0.0 111.021 -177.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -60.26 -38.21 82.8 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -88.14 -40.65 13.58 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.607 -178.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.459 ' OD1' ' HB2' ' A' ' 48' ' ' SER . 4.7 t-20 -74.66 -36.36 62.83 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -176.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.443 ' O ' HG22 ' A' ' 116' ' ' THR . 0.1 OUTLIER 55.0 16.59 1.55 Allowed 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -177.308 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.459 ' HB2' ' OD1' ' A' ' 46' ' ' ASN . 31.2 t -67.63 128.21 35.62 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 179.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.653 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -64.27 -41.55 96.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.924 176.115 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.512 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 42.2 mt-10 -62.38 -42.94 99.8 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.56 177.185 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 38.8 tp -62.04 -39.5 92.54 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 177.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.549 ' HB3' ' O ' ' A' ' 49' ' ' LYS . 2.9 tp-100 -53.76 -50.75 65.35 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.229 175.055 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.527 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 14.6 mm-40 -59.28 -50.35 74.33 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.177 -179.096 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.512 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 32.4 mmtp -62.25 -43.95 97.67 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.659 0.266 . . . . 0.0 110.844 -178.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 63.4 mt -61.88 -50.67 79.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.533 -179.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 15.0 tt -69.12 -33.86 60.64 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.364 -178.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.527 ' HB2' ' O ' ' A' ' 53' ' ' GLU . 0.6 OUTLIER -67.91 -48.78 65.02 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.006 -179.672 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -68.22 -32.67 73.05 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.456 178.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 48.6 tp -61.58 -47.61 84.7 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 177.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -64.0 -49.57 71.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.432 -0.803 . . . . 0.0 112.611 -177.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 34.5 m -61.84 -39.04 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.692 -177.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 98.0 t -72.35 -37.01 56.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 178.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 47.8 t -63.15 -43.95 96.89 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.263 178.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.53 -49.26 67.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.604 -177.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 21.2 ptp -61.34 -35.86 78.58 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.401 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.3 mp -68.94 -40.85 81.55 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.79 178.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -64.57 -40.38 95.46 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 120.888 0.375 . . . . 0.0 110.494 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.02 -48.19 61.43 Favored Glycine 0 N--CA 1.444 -0.822 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.62 -179.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.16 -39.5 82.59 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.588 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 27.0 tt0 -60.72 -42.76 97.91 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-O 121.135 0.493 . . . . 0.0 109.717 179.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.8 -41.13 93.78 Favored Glycine 0 C--O 1.241 0.54 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.983 -178.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.65 -56.7 9.46 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.13 0.491 . . . . 0.0 110.309 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.552 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 57.0 tp -56.32 -43.64 79.18 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.397 -179.461 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.588 ' HB2' ' O ' ' A' ' 70' ' ' GLN . 1.8 tm-20 -54.16 -51.4 64.46 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.228 0.537 . . . . 0.0 110.49 179.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -59.65 -41.95 91.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.002 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -70.5 -54.4 12.37 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -178.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.659 ' HA ' HD13 ' A' ' 18' ' ' LEU . 3.6 pp -56.83 -22.63 37.98 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.458 ' N ' HD12 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -66.63 -9.65 37.91 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -178.395 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 15.7 mmm-85 . . . . . 0 CA--C 1.534 0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.842 179.778 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.7 tt . . . . . 0 C--O 1.236 0.386 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -59.98 -40.57 89.58 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.287 179.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.4 tpp180 -54.15 -52.51 60.91 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 120.999 0.428 . . . . 0.0 110.286 176.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -60.77 -50.29 74.06 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.867 -178.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.54 -53.98 50.94 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -177.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.553 ' CD1' HD11 ' A' ' 19' ' ' ILE . 4.6 m-85 -55.33 -51.48 66.62 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.956 0.407 . . . . 0.0 111.396 179.125 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -55.28 -50.72 68.8 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.904 179.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.75 -44.49 89.93 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.168 -176.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.59 -43.02 98.17 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-O 121.092 0.473 . . . . 0.0 110.769 -178.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -66.79 -35.71 80.7 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.835 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.428 ' O ' HG13 ' A' ' 99' ' ' ILE . 90.1 m -56.84 -44.1 81.78 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.224 176.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 86.0 mt -69.2 -34.52 75.02 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.023 -179.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.424 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 37.2 m -57.17 -51.38 69.56 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.629 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -62.51 -37.16 84.96 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.679 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 95' ' ' THR . 81.0 mt -65.63 -46.49 89.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.939 0.399 . . . . 0.0 110.456 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 95.5 mt -61.47 -45.61 93.53 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.108 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 97' ' ' SER . 97.1 mt -63.56 -40.33 96.71 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.707 179.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.426 ' C ' ' HD2' ' A' ' 102' ' ' LYS . 5.4 tmmm? -65.47 -43.87 88.93 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.469 179.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -69.31 -34.32 74.48 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 -178.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 29.3 tp -63.39 -45.98 88.54 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.138 0.494 . . . . 0.0 109.862 177.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -60.64 -29.43 69.26 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.443 176.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.591 ' O ' ' HG2' ' A' ' 110' ' ' LYS . 0.7 OUTLIER -66.62 -36.67 83.14 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 176.243 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 10.0 m -65.46 -47.08 77.33 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 177.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -51.2 -47.42 62.25 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.388 0.613 . . . . 0.0 109.941 175.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.552 ' HA ' ' HE2' ' A' ' 112' ' ' LYS . 21.0 tt0 -61.04 -42.4 98.4 Favored 'General case' 0 N--CA 1.437 -1.108 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.744 178.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.591 ' HG2' ' O ' ' A' ' 106' ' ' GLU . 11.6 mmpt? -65.09 -48.06 75.03 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.864 0.364 . . . . 0.0 111.616 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.421 HG23 ' CD2' ' A' ' 43' ' ' LEU . 9.7 p -63.24 -43.04 98.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 -178.187 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.552 ' HE2' ' HA ' ' A' ' 109' ' ' GLN . 43.0 pttt -74.05 -15.29 61.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.921 0.391 . . . . 0.0 110.948 178.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -78.55 -27.38 45.84 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.976 177.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.5 mp -73.15 121.0 22.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 CA-C-O 121.414 0.626 . . . . 0.0 110.84 178.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -77.1 118.91 20.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.389 176.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.443 HG22 ' O ' ' A' ' 47' ' ' LYS . 3.0 p -122.38 -165.99 1.36 Allowed 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 178.299 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.521 ' HB3' ' HD2' ' A' ' 49' ' ' LYS . 19.5 tp60 . . . . . 0 C--O 1.247 0.948 0 CA-C-O 118.605 -0.712 . . . . 0.0 109.801 178.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.483 HD12 ' N ' ' A' ' 19' ' ' ILE . 0.9 OUTLIER . . . . . 0 CA--C 1.54 0.58 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.619 HD11 ' HD1' ' A' ' 90' ' ' TYR . 8.5 mm -69.53 -39.44 78.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 C-N-CA 120.482 -0.487 . . . . 0.0 111.141 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.5 -29.41 68.83 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.014 0.435 . . . . 0.0 110.249 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -67.81 -39.91 83.89 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.692 177.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.08 -37.73 57.87 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 121.707 0.765 . . . . 0.0 110.101 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -62.56 -35.36 79.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.609 -1.178 . . . . 0.0 109.694 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -69.72 -42.71 73.63 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.049 177.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.98 -45.83 93.21 Favored 'General case' 0 C--O 1.225 -0.202 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 35.0 pt -64.23 -37.82 80.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.999 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -60.84 -42.03 96.97 Favored 'General case' 0 C--O 1.245 0.861 0 CA-C-O 121.471 0.653 . . . . 0.0 109.316 176.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -65.83 -51.23 60.62 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.465 177.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.32 -44.41 89.56 Favored Glycine 0 C--O 1.224 -0.517 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.856 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -59.18 -43.32 92.15 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.183 0.516 . . . . 0.0 110.351 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.431 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 2.0 t60 -69.23 -47.49 64.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.839 -177.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.416 HE21 ' HB2' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -70.72 -28.66 64.9 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.364 -178.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.462 HD23 HD23 ' A' ' 104' ' ' LEU . 1.9 tm? -65.77 -48.57 71.39 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 176.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 31' ' ' HIS . 4.6 pp -67.03 -28.1 67.94 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.531 -0.467 . . . . 0.0 110.511 -179.066 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -67.79 -57.65 5.94 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.594 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -63.31 -31.2 72.29 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.106 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -62.82 -36.98 84.95 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 121.203 0.525 . . . . 0.0 109.76 178.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 48.5 t60 -65.76 -46.63 78.09 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 175.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -55.54 -44.39 76.68 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.516 176.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 31.6 tp -50.94 -48.86 60.72 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 123.413 0.685 . . . . 0.0 111.277 176.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -57.3 -41.56 80.07 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.805 0.336 . . . . 0.0 110.742 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -66.15 -43.3 87.4 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.515 0.674 . . . . 0.0 109.337 178.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.9 tp -56.64 -39.27 73.39 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.944 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.532 ' O ' ' HE3' ' A' ' 47' ' ' LYS . 10.6 m120 -57.59 -36.41 71.7 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.07 0.462 . . . . 0.0 111.013 178.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -82.87 -45.58 14.07 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.546 -178.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.501 ' HB3' ' OG ' ' A' ' 48' ' ' SER . 4.3 m-20 -76.25 -37.01 58.21 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -174.343 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.532 ' HE3' ' O ' ' A' ' 44' ' ' ASN . 31.3 mmtp 56.64 22.7 7.0 Favored 'General case' 0 N--CA 1.489 1.475 0 CA-C-O 121.627 0.727 . . . . 0.0 109.617 -175.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.501 ' OG ' ' HB3' ' A' ' 46' ' ' ASN . 39.7 m -67.36 116.9 8.63 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.401 -177.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.592 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 0.2 OUTLIER -59.38 -44.44 92.77 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.914 -178.864 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -64.52 -34.46 78.28 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.03 178.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.438 ' HB3' ' HB2' ' A' ' 48' ' ' SER . 53.6 tp -67.07 -43.44 82.64 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 178.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -57.53 -46.65 83.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.86 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.592 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 17.2 mm-40 -60.16 -45.78 91.93 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.195 -177.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.2 mtmm -62.58 -43.7 98.15 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.895 0.378 . . . . 0.0 110.535 178.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 76.7 mt -61.95 -48.76 87.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.939 -178.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 69.0 mt -63.23 -41.79 94.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.28 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -69.12 -42.41 76.11 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -177.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.467 ' HA ' HG12 ' A' ' 61' ' ' VAL . 38.7 tt0 -72.53 -37.67 68.26 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.413 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.5 tp -62.21 -45.2 94.42 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -65.26 -46.73 79.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.994 -178.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.467 HG12 ' HA ' ' A' ' 58' ' ' GLU . 12.1 p -64.02 -37.66 80.38 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.218 -178.317 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 95.6 t -72.69 -37.03 54.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 177.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.485 ' SG ' ' HE3' ' A' ' 105' ' ' LYS . 44.6 t -64.3 -39.24 93.52 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 178.384 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.38 -44.12 79.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.283 -178.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.468 ' HG3' HD12 ' A' ' 66' ' ' ILE . 22.9 ptp -67.7 -36.65 81.04 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.138 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.468 HD12 ' HG3' ' A' ' 65' ' ' MET . 1.5 mp -67.89 -40.34 83.34 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.374 176.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -63.13 -39.07 93.6 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 121.098 0.475 . . . . 0.0 110.021 177.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.33 -44.71 93.08 Favored Glycine 0 N--CA 1.445 -0.764 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.051 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.19 -40.95 86.62 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 115.722 -0.239 . . . . 0.0 110.396 179.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -60.36 -43.63 96.33 Favored 'General case' 0 C--O 1.226 -0.15 0 CA-C-O 121.09 0.472 . . . . 0.0 110.534 179.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -64.26 -45.26 94.0 Favored Glycine 0 C--O 1.248 1.017 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.005 -179.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.82 -55.38 15.11 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.243 -0.478 . . . . 0.0 110.093 -179.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.64 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 36.8 mt -50.97 -54.82 20.99 Favored 'General case' 0 CA--C 1.5 -0.959 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.96 179.539 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.546 ' O ' ' HB2' ' A' ' 78' ' ' LYS . 8.7 mt-10 -53.96 -48.38 70.37 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 123.507 0.504 . . . . 0.0 112.213 -176.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 48.3 ttp180 -58.18 -43.64 87.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.762 0.315 . . . . 0.0 110.539 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -72.44 -56.55 5.24 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.235 -177.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.64 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 4.2 pp -62.25 -27.64 69.14 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -177.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.546 ' HB2' ' O ' ' A' ' 74' ' ' GLU . 0.6 OUTLIER -65.08 -27.5 68.82 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-O 121.124 0.488 . . . . 0.0 110.621 -176.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.148 -179.553 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.3 tm? . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -58.56 -44.93 89.87 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.582 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -61.85 -39.57 92.34 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 120.379 -0.528 . . . . 0.0 111.31 -179.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -67.05 -42.49 84.71 Favored 'General case' 0 N--CA 1.457 -0.087 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.548 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.429 HD22 HG21 ' A' ' 19' ' ' ILE . 5.5 m-20 -62.96 -42.08 99.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.288 178.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.619 ' HD1' HD11 ' A' ' 19' ' ' ILE . 8.3 m-30 -54.38 -54.25 43.15 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.426 175.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -58.7 -41.11 85.52 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.6 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.8 tm-20 -70.03 -45.23 67.64 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.71 -177.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.79 -47.4 85.3 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -57.67 -37.73 73.91 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.291 178.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.498 ' O ' HD13 ' A' ' 99' ' ' ILE . 94.5 m -56.48 -48.34 77.34 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.35 177.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.472 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 85.1 mt -72.19 -40.46 67.89 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.127 -178.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 49.5 m -53.7 -52.53 59.76 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.209 179.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -60.86 -41.98 96.94 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.414 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.498 HD13 ' O ' ' A' ' 95' ' ' THR . 1.5 mp -59.82 -42.77 90.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-O 120.748 0.309 . . . . 0.0 110.524 178.326 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 96' ' ' LEU . 97.8 mt -63.65 -46.85 83.77 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.183 179.181 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 95.5 mt -58.91 -44.06 91.21 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.365 179.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -57.42 -53.39 58.66 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.945 176.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.87 -36.59 70.27 Favored 'General case' 0 C--O 1.241 0.634 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.462 HD23 HD23 ' A' ' 33' ' ' LEU . 96.2 mt -62.72 -50.77 69.82 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 121.014 0.435 . . . . 0.0 110.149 177.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.485 ' HE3' ' SG ' ' A' ' 63' ' ' CYS . 0.7 OUTLIER -62.74 -31.83 72.85 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.365 179.061 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -62.19 -42.68 99.51 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 176.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 35.6 m -64.24 -48.65 74.99 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.652 178.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.471 ' HG2' ' HD2' ' A' ' 112' ' ' LYS . 25.5 tt0 -51.74 -53.71 36.47 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.397 0.679 . . . . 0.0 111.261 177.347 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -56.21 -40.16 73.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.806 0.336 . . . . 0.0 111.253 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -68.98 -42.66 76.26 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -178.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 108' ' ' GLU . 33.7 m -66.51 -38.02 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 CA-C-O 120.975 0.417 . . . . 0.0 110.118 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.471 ' HD2' ' HG2' ' A' ' 108' ' ' GLU . 4.8 mtpm? -64.7 -35.62 81.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.417 176.372 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.59 -23.14 58.69 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.686 -177.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -74.69 142.52 14.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 CA-C-O 121.302 0.572 . . . . 0.0 111.169 -179.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -68.57 162.01 26.73 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.236 177.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.4 p -153.09 140.92 20.11 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.266 -177.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 . . . . . 0 C--N 1.313 -1.021 0 CA-C-O 118.733 -0.651 . . . . 0.0 111.783 -178.012 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.426 HD23 ' HB2' ' A' ' 77' ' ' LEU . 6.4 mp . . . . . 0 C--O 1.239 0.514 0 CA-C-O 121.067 0.461 . . . . 0.0 110.339 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 32.0 mm -63.99 -37.21 79.2 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.98 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.021 178.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -56.49 -47.77 78.58 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 120.967 0.413 . . . . 0.0 110.753 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -68.04 -36.83 80.55 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.899 -178.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.49 -41.47 55.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.681 0.753 . . . . 0.0 110.237 -178.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.543 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 56.4 t30 -63.51 -39.39 94.3 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.443 -1.253 . . . . 0.0 110.283 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 -72.38 -33.96 67.6 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 120.171 -0.612 . . . . 0.0 110.944 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.99 -43.18 99.51 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 121.158 -0.217 . . . . 0.0 111.25 178.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 31.4 pt -68.23 -31.84 53.26 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.125 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.844 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.543 ' HG3' ' O ' ' A' ' 23' ' ' ASN . 50.8 mt-10 -62.74 -40.57 97.64 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.282 0.563 . . . . 0.0 109.584 174.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -65.96 -44.8 83.91 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.317 178.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.96 -39.82 96.1 Favored Glycine 0 C--O 1.22 -0.764 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.033 177.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -58.42 -45.25 88.82 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.144 0.497 . . . . 0.0 110.625 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -67.23 -43.97 80.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.043 -177.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.83 -28.49 61.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.928 -177.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.443 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 1.6 tm? -65.51 -49.1 70.24 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 176.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.6 mt -65.45 -26.97 68.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.559 0.695 . . . . 0.0 109.76 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -67.18 -58.05 5.58 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.181 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -64.34 -31.22 72.34 Favored 'General case' 0 C--N 1.34 0.162 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.864 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.443 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 19.6 mm-40 -59.9 -37.28 78.98 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 121.227 0.537 . . . . 0.0 110.026 178.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -69.15 -35.03 75.9 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.185 178.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.461 ' HA ' ' OE1' ' A' ' 39' ' ' GLN . 11.0 mm-40 -67.51 -44.29 78.79 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-O 121.196 0.522 . . . . 0.0 109.667 179.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.8 tp -50.98 -45.64 61.06 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.727 176.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -58.81 -46.53 87.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.743 178.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -63.64 -40.81 97.81 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.88 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.0 tp -63.95 -31.9 73.25 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 120.625 0.25 . . . . 0.0 110.604 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -59.15 -31.52 69.04 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.039 178.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -83.58 -47.18 11.56 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.893 177.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -74.83 -37.94 62.15 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 121.166 0.508 . . . . 0.0 110.864 -175.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.444 ' O ' HG22 ' A' ' 116' ' ' THR . 0.1 OUTLIER 59.68 22.01 10.74 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.955 -179.044 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.6 t -71.32 129.61 39.3 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 121.128 0.49 . . . . 0.0 112.172 -176.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.413 ' HG3' ' H ' ' A' ' 50' ' ' GLU . 34.7 pttt -58.22 -47.84 82.24 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.641 175.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.443 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 35.6 mt-10 -60.9 -49.91 75.53 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.973 -178.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 56.1 tp -61.04 -40.84 95.14 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.219 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -58.41 -48.46 80.59 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.648 178.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -64.24 -42.52 96.5 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.952 -178.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 8.4 mtpm? -64.56 -42.98 95.32 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 120.719 0.295 . . . . 0.0 110.404 178.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 71.6 mt -62.77 -53.69 43.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.486 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 16.2 tt -65.92 -32.79 59.7 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -177.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -68.46 -47.81 66.15 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.965 178.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -65.8 -36.18 82.78 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.001 0.429 . . . . 0.0 110.303 178.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 38.4 tp -61.64 -49.73 75.36 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.338 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -64.15 -45.75 87.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.084 -177.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 33.5 m -63.22 -38.1 81.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 C-N-CA 120.659 -0.416 . . . . 0.0 111.639 -178.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.418 ' HA ' ' HG2' ' A' ' 65' ' ' MET . 92.8 t -73.18 -37.87 53.39 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 178.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.433 ' O ' ' HB2' ' A' ' 67' ' ' GLU . 42.4 t -62.87 -38.28 90.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.222 0.534 . . . . 0.0 109.721 179.035 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.96 -49.66 49.52 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.468 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.418 ' HG2' ' HA ' ' A' ' 62' ' ' VAL . 22.7 ptp -62.36 -38.82 91.02 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.478 -178.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.3 mp -66.58 -41.61 88.62 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.527 177.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 63' ' ' CYS . 0.3 OUTLIER -66.93 -39.53 87.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.107 0.479 . . . . 0.0 110.362 -179.176 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.57 -45.42 93.07 Favored Glycine 0 N--CA 1.442 -0.934 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.074 -178.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.88 -41.22 75.06 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.424 -0.388 . . . . 0.0 110.176 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.685 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 0.7 OUTLIER -61.82 -45.14 95.13 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-O 121.137 0.494 . . . . 0.0 110.264 -178.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -68.94 -45.8 62.02 Favored Glycine 0 C--O 1.243 0.678 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.657 -178.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.67 -53.64 38.37 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-O 121.022 0.439 . . . . 0.0 110.946 -177.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.545 ' HG ' HD23 ' A' ' 77' ' ' LEU . 28.6 tp -60.19 -43.84 95.58 Favored 'General case' 0 C--O 1.214 -0.804 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.387 -179.289 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.685 ' HB2' ' O ' ' A' ' 70' ' ' GLN . 0.8 OUTLIER -54.48 -53.89 48.3 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-O 121.746 0.784 . . . . 0.0 110.762 -178.249 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 28.9 ttm-85 -56.67 -42.89 79.8 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.45 -178.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -73.25 -54.69 7.79 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.979 -178.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.545 HD23 ' HG ' ' A' ' 73' ' ' LEU . 3.2 pp -53.2 -21.63 5.45 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -178.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.5 ' N ' HD12 ' A' ' 77' ' ' LEU . 21.6 mmtm -64.38 -45.13 89.04 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-O 121.127 0.489 . . . . 0.0 111.141 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.551 ' HD2' ' N ' ' A' ' 79' ' ' ARG . 4.8 mpt_? . . . . . 0 N--CA 1.468 0.435 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.488 -177.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 55.9 tp . . . . . 0 CA--C 1.519 -0.226 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -60.01 -39.39 85.64 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.229 178.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -58.58 -43.67 89.53 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-O 121.447 0.641 . . . . 0.0 109.816 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -70.04 -44.73 68.63 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.906 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -54.9 -51.97 64.36 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.692 178.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 15.0 m-30 -56.42 -45.24 80.79 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.567 179.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -58.19 -43.19 87.44 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.029 178.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -69.4 -36.9 77.2 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.209 0.528 . . . . 0.0 110.068 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.35 -46.22 89.66 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.769 179.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -57.23 -38.76 74.27 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.867 177.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.516 ' O ' HG13 ' A' ' 99' ' ' ILE . 43.6 m -59.03 -52.18 66.87 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.401 -178.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 90.1 mt -69.44 -37.81 77.56 Favored 'General case' 0 CA--C 1.516 -0.342 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.035 -177.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.41 ' HB3' ' HG3' ' A' ' 70' ' ' GLN . 42.6 m -58.14 -50.06 74.83 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.179 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -63.14 -39.67 95.35 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.154 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.516 HG13 ' O ' ' A' ' 95' ' ' THR . 80.4 mt -62.5 -41.22 91.11 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-O 121.167 0.508 . . . . 0.0 110.242 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -60.49 -47.81 84.51 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.75 178.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 95.0 mt -59.45 -39.85 84.93 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.804 179.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -63.93 -49.75 71.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.455 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.401 ' OD1' HD11 ' A' ' 33' ' ' LEU . 11.2 t70 -66.03 -36.9 84.52 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.492 -179.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 19.3 tp -61.93 -50.22 73.03 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.438 0.637 . . . . 0.0 110.118 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.413 ' O ' ' HB3' ' A' ' 108' ' ' GLU . 37.3 tttp -65.78 -25.54 67.3 Favored 'General case' 0 N--CA 1.439 -1.017 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.652 179.288 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.437 ' HG2' ' HE3' ' A' ' 110' ' ' LYS . 35.7 tt0 -65.67 -32.98 74.84 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 175.148 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 20.3 m -63.83 -46.56 84.49 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 175.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.413 ' HB3' ' O ' ' A' ' 105' ' ' LYS . 27.3 tt0 -51.36 -48.42 62.49 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.883 176.295 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.474 ' O ' ' HG2' ' A' ' 112' ' ' LYS . 57.0 tp60 -58.0 -43.24 86.5 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.079 179.447 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.437 ' HE3' ' HG2' ' A' ' 106' ' ' GLU . 96.8 mttt -71.97 -43.88 64.43 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.489 0.552 . . . . 0.0 112.489 -177.271 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.5 p -62.52 -42.8 97.19 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.458 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 109' ' ' GLN . 9.0 pttp -71.88 -21.3 61.67 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 121.029 0.442 . . . . 0.0 110.566 177.169 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -70.03 -32.67 70.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.217 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.431 HG22 HG23 ' A' ' 116' ' ' THR . 1.5 mp -69.44 118.25 13.47 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-O 120.833 0.349 . . . . 0.0 110.287 179.046 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -75.88 123.98 26.58 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 121.255 0.55 . . . . 0.0 110.052 176.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.444 HG22 ' O ' ' A' ' 47' ' ' LYS . 32.2 p -111.11 174.36 5.9 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -178.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 . . . . . 0 C--O 1.244 0.771 0 CA-C-N 114.909 -1.041 . . . . 0.0 111.135 -178.487 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.2 mt . . . . . 0 N--CA 1.468 0.438 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.444 HD11 ' CD1' ' A' ' 90' ' ' TYR . 24.0 mm -66.67 -36.12 76.47 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.525 0 CA-C-O 120.752 0.31 . . . . 0.0 110.5 -179.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -55.63 -46.4 77.43 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.263 178.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -66.29 -47.9 72.14 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 120.763 0.316 . . . . 0.0 110.437 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.59 -43.13 75.7 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 121.18 0.514 . . . . 0.0 110.92 177.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -60.36 -42.4 95.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.912 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -64.61 -45.17 88.06 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.345 177.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.5 -45.89 88.59 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.6 pt -65.26 -36.42 77.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 C-N-CA 120.524 -0.47 . . . . 0.0 111.015 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -63.94 -40.96 97.64 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-O 120.952 0.406 . . . . 0.0 110.254 175.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -65.55 -44.31 87.21 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 178.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.25 -43.14 93.69 Favored Glycine 0 C--O 1.222 -0.607 0 CA-C-N 115.479 -0.782 . . . . 0.0 112.188 177.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -56.51 -45.98 80.79 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.143 0.497 . . . . 0.0 110.353 178.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -64.18 -49.27 72.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.289 -177.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.05 -33.01 69.88 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -177.397 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.545 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 1.7 tm? -69.26 -50.3 48.22 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 178.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.409 ' O ' ' HD2' ' A' ' 38' ' ' HIS . 69.3 mt -63.85 -33.07 74.85 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -179.664 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -66.29 -52.03 51.49 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.272 178.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.436 ' O ' HD23 ' A' ' 36' ' ' LEU . 5.6 tt -60.1 -34.28 73.26 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.927 -178.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.545 ' HG3' ' O ' ' A' ' 33' ' ' LEU . 91.5 mt-30 -58.42 -37.63 75.77 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 120.927 0.394 . . . . 0.0 110.192 178.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.409 ' HD2' ' O ' ' A' ' 34' ' ' LEU . 68.5 m-70 -66.17 -38.09 87.24 Favored 'General case' 0 C--O 1.247 0.922 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.601 178.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -68.97 -42.77 76.13 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.263 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.471 HD13 HG22 ' A' ' 111' ' ' VAL . 30.4 tp -51.42 -47.45 62.98 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.868 174.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -57.21 -40.0 76.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.246 0.546 . . . . 0.0 110.469 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -67.29 -44.26 79.72 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.053 176.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -58.58 -39.73 81.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.372 178.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -57.28 -34.07 68.28 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 121.042 0.449 . . . . 0.0 110.501 179.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -82.91 -42.9 17.14 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.854 -179.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.475 ' HB3' ' OG ' ' A' ' 48' ' ' SER . 23.9 m-80 -76.62 -35.94 57.75 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -176.242 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt 59.63 22.68 11.4 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 115.388 -0.823 . . . . 0.0 109.215 -175.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.475 ' OG ' ' HB3' ' A' ' 46' ' ' ASN . 53.0 m -69.18 120.1 14.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.176 -177.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.454 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 0.1 OUTLIER -62.45 -42.28 99.36 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.187 179.12 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.424 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 7.8 mm-40 -61.32 -46.01 92.04 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 116.784 -0.189 . . . . 0.0 111.06 179.191 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 45.2 tp -62.09 -41.54 98.29 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -60.29 -47.13 87.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.122 178.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.622 ' O ' ' HD3' ' A' ' 57' ' ' ARG . 7.3 mm-40 -61.09 -45.99 92.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.003 -178.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.455 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -62.86 -43.96 97.4 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 179.28 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 63.8 mt -61.23 -50.15 81.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.864 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 79.2 mt -61.94 -39.24 82.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.708 0.29 . . . . 0.0 110.942 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.622 ' HD3' ' O ' ' A' ' 53' ' ' GLU . 7.4 mpt_? -67.35 -48.45 67.46 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.604 -178.351 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.464 ' O ' HG22 ' A' ' 61' ' ' VAL . 10.8 pt-20 -69.49 -32.13 70.82 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 119.816 -0.754 . . . . 0.0 110.67 179.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.1 tt -61.84 -46.65 88.56 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 176.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -63.54 -43.81 96.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.888 -178.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' ' 57' ' ' ARG . 5.3 m -63.8 -37.65 80.28 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 120.449 -0.501 . . . . 0.0 110.811 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 72.0 t -70.21 -39.29 76.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 177.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 42.4 t -62.61 -41.56 99.07 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.87 178.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.71 -48.1 70.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.374 -178.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.421 ' HG3' HD12 ' A' ' 66' ' ' ILE . 23.2 ptp -65.61 -36.33 83.42 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.626 -179.42 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.421 HD12 ' HG3' ' A' ' 65' ' ' MET . 1.5 mp -67.83 -43.15 86.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.475 177.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -61.13 -39.64 90.79 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.103 0.478 . . . . 0.0 110.524 178.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -68.44 -48.14 53.11 Favored Glycine 0 N--CA 1.439 -1.145 0 CA-C-N 115.325 -0.852 . . . . 0.0 113.104 -177.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.06 -44.0 70.05 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.505 0.187 . . . . 0.0 111.505 -178.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.631 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 10.6 pt20 -63.57 -36.44 83.81 Favored 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.285 -178.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -69.27 -43.96 68.16 Favored Glycine 0 C--O 1.24 0.525 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.06 178.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.8 -53.78 29.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.108 -0.546 . . . . 0.0 110.138 -178.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.607 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 48.3 tp -56.19 -44.72 79.71 Favored 'General case' 0 C--O 1.214 -0.769 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.409 179.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.631 ' HB2' ' O ' ' A' ' 70' ' ' GLN . 2.3 tm-20 -55.68 -49.88 71.77 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.154 0.502 . . . . 0.0 110.362 -179.096 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -57.24 -45.74 83.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.003 178.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -71.24 -54.54 10.56 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.47 -176.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 2.9 pp -58.27 -19.43 34.29 Favored 'General case' 0 CA--C 1.516 -0.34 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.43 ' HD3' ' HA ' ' A' ' 78' ' ' LYS . 37.5 mmtt -72.64 -10.76 60.18 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 120.916 -0.314 . . . . 0.0 111.577 178.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 . . . . . 0 N--CA 1.463 0.194 0 CA-C-O 121.253 0.549 . . . . 0.0 110.033 -179.223 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.2 tm? . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.47 0.176 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -61.94 -41.12 97.59 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.714 -0.221 . . . . 0.0 111.155 -178.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -58.65 -45.68 88.8 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.065 0.46 . . . . 0.0 110.09 177.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -59.74 -42.17 92.58 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.647 177.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.77 -49.94 74.34 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.542 179.22 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.444 ' CD1' HD11 ' A' ' 19' ' ' ILE . 4.5 m-30 -54.72 -54.59 39.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.415 177.016 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -57.56 -48.6 78.89 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.045 -178.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.412 ' O ' ' HB ' ' A' ' 95' ' ' THR . 6.9 tp10 -66.33 -45.74 79.22 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.601 -177.635 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.98 -44.46 91.6 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-O 120.82 0.343 . . . . 0.0 111.017 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.449 ' O ' ' HG3' ' A' ' 98' ' ' LYS . 98.7 mt-30 -64.33 -35.02 79.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.397 178.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.488 ' O ' HG13 ' A' ' 99' ' ' ILE . 53.6 m -58.3 -46.77 85.5 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.943 175.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 85.6 mt -70.08 -34.91 73.76 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.09 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 46.6 m -60.06 -50.57 73.19 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.683 179.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 94' ' ' GLN . 43.5 mtmt -59.44 -38.14 79.94 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.629 179.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 95' ' ' THR . 84.2 mt -63.55 -45.84 96.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-O 121.278 0.561 . . . . 0.0 110.019 178.393 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 65.7 tp -59.16 -51.46 69.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.032 -0.985 . . . . 0.0 111.154 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.44 -39.77 88.68 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.043 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -64.15 -37.5 87.67 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.477 178.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -70.82 -34.99 72.29 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.299 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.06 -49.68 76.36 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 120.84 0.352 . . . . 0.0 110.407 177.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.434 ' O ' ' HG3' ' A' ' 109' ' ' GLN . 26.4 mtpp -64.24 -31.0 72.03 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.081 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.575 ' O ' ' HD3' ' A' ' 110' ' ' LYS . 42.8 tt0 -66.62 -41.34 88.5 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 177.442 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.471 HG23 HD22 ' A' ' 40' ' ' LEU . 57.0 m -67.68 -43.13 80.92 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 114.944 -1.025 . . . . 0.0 109.469 178.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -49.4 -55.67 12.23 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 123.621 0.768 . . . . 0.0 111.03 174.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.434 ' HG3' ' O ' ' A' ' 105' ' ' LYS . 88.3 mt-30 -59.2 -34.26 71.95 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.641 -179.54 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.575 ' HD3' ' O ' ' A' ' 106' ' ' GLU . 4.7 mptp? -66.22 -45.56 80.25 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.162 0.506 . . . . 0.0 111.71 179.166 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.471 HG22 HD13 ' A' ' 40' ' ' LEU . 46.7 t -60.22 -46.47 94.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.709 178.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -72.36 -15.23 61.86 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.274 -0.876 . . . . 0.0 111.173 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.461 ' HB3' ' O ' ' A' ' 110' ' ' LYS . 17.6 t70 -75.24 -31.48 60.84 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.073 178.262 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -73.9 125.01 32.41 Favored 'Isoleucine or valine' 0 C--O 1.242 0.664 0 CA-C-O 121.464 0.65 . . . . 0.0 111.33 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 27.0 pt20 -77.04 118.88 20.03 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.906 177.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 50.1 p -110.1 171.58 7.37 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -178.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 . . . . . 0 C--O 1.243 0.748 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.517 -179.093 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.9 mt . . . . . 0 N--CA 1.467 0.385 0 CA-C-O 121.004 0.43 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.495 HD11 ' CD1' ' A' ' 90' ' ' TYR . 23.4 mm -64.0 -23.95 34.59 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-O 121.2 0.524 . . . . 0.0 110.39 178.342 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.425 ' HA ' ' ND2' ' A' ' 23' ' ' ASN . 1.7 tm-20 -62.59 -53.11 59.45 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.216 176.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -61.09 -36.17 78.95 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.192 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.7 -50.49 13.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.997 -175.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.425 ' ND2' ' HA ' ' A' ' 20' ' ' GLU . 1.8 p30 -64.65 -32.57 74.29 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.066 -176.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -76.06 -39.3 55.75 Favored 'General case' 0 N--CA 1.443 -0.816 0 C-N-CA 120.38 -0.528 . . . . 0.0 111.312 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.96 -45.85 80.24 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 120.659 0.266 . . . . 0.0 111.513 179.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.7 pp -66.74 -32.11 56.56 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.151 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -63.2 -44.81 94.29 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 176.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.8 ttmp? -65.23 -43.17 92.29 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.12 178.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.455 ' O ' ' HG3' ' A' ' 32' ' ' GLN . . . -61.33 -41.74 99.59 Favored Glycine 0 C--N 1.336 0.577 0 C-N-CA 121.219 -0.515 . . . . 0.0 111.984 179.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.531 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 35.8 tt0 -57.69 -49.31 76.95 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 123.03 0.532 . . . . 0.0 110.554 179.244 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -68.81 -39.74 79.9 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.234 -177.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.455 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -69.38 -29.38 67.14 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.004 178.425 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -66.11 -45.56 80.74 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 176.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 30' ' ' GLU . 69.3 mt -65.4 -35.24 80.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.968 179.408 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -66.48 -55.67 14.55 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.123 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.61 -30.69 70.0 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.882 0.372 . . . . 0.0 111.233 -178.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -57.82 -33.75 68.94 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-O 121.363 0.601 . . . . 0.0 109.781 178.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -69.55 -40.71 76.66 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.889 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -56.85 -43.71 81.43 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.142 176.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.4 tt -50.5 -49.13 56.34 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.466 175.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -56.49 -41.36 76.52 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 120.81 0.338 . . . . 0.0 111.568 179.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -68.1 -44.05 77.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.48 0.657 . . . . 0.0 109.487 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.1 tp -57.17 -42.4 81.07 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.296 178.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.639 ' O ' ' HE3' ' A' ' 47' ' ' LYS . 7.1 m-20 -59.24 -35.15 73.16 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.023 0.44 . . . . 0.0 111.193 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -79.4 -46.76 16.96 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.435 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -77.91 -34.08 51.53 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -175.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.639 ' HE3' ' O ' ' A' ' 44' ' ' ASN . 33.1 mmtp 58.93 25.24 13.48 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.445 -177.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.2 m -68.5 119.45 12.98 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.757 -178.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.526 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.3 OUTLIER -61.25 -42.04 97.95 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.911 179.283 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.449 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 5.4 pt-20 -64.57 -41.9 95.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.56 178.196 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 61.4 tp -64.48 -40.44 95.68 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -56.76 -47.93 78.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.522 178.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.489 ' HB3' ' NH1' ' A' ' 57' ' ' ARG . 43.1 mt-10 -63.43 -43.11 98.4 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.255 -177.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 7.8 mtpm? -64.59 -41.86 95.97 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.972 0.415 . . . . 0.0 110.317 179.181 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.462 ' O ' ' HB2' ' A' ' 59' ' ' LEU . 70.3 mt -60.21 -45.14 96.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.092 178.033 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 80.5 mt -67.51 -36.35 76.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.18 178.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.489 ' NH1' ' HB3' ' A' ' 53' ' ' GLU . 2.4 mpt_? -65.8 -46.26 79.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.801 -0.181 . . . . 0.0 111.056 -179.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.503 ' HA ' HG12 ' A' ' 61' ' ' VAL . 7.6 mm-40 -71.98 -32.75 67.54 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.137 178.16 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.462 ' HB2' ' O ' ' A' ' 55' ' ' ILE . 13.5 tp -63.09 -48.62 77.82 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.282 0.563 . . . . 0.0 109.656 177.533 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.498 ' HA ' ' SG ' ' A' ' 63' ' ' CYS . 27.5 t70 -61.47 -47.32 86.2 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.177 -179.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.503 HG12 ' HA ' ' A' ' 58' ' ' GLU . 7.5 p -63.85 -40.59 89.6 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -179.607 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 76.8 t -71.95 -41.0 68.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.598 -178.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.498 ' SG ' ' HA ' ' A' ' 60' ' ' ASP . 21.1 p -66.36 -32.77 74.37 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 119.771 -0.772 . . . . 0.0 110.667 -179.036 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.18 -46.13 61.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.436 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.462 ' HG3' HD12 ' A' ' 66' ' ' ILE . 21.9 ptp -65.65 -41.1 92.95 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.31 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.462 HD12 ' HG3' ' A' ' 65' ' ' MET . 1.4 mp -65.44 -43.91 94.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.836 178.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -68.44 -36.19 78.68 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 120.83 0.348 . . . . 0.0 111.298 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -68.18 -45.42 71.25 Favored Glycine 0 N--CA 1.442 -0.966 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.212 -179.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.57 -41.24 72.68 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.06 -41.48 96.69 Favored 'General case' 0 C--O 1.217 -0.609 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.418 ' O ' ' HG3' ' A' ' 74' ' ' GLU . . . -68.86 -46.87 58.47 Favored Glycine 0 C--O 1.245 0.806 0 CA-C-N 115.185 -0.916 . . . . 0.0 112.56 -179.161 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.47 -54.66 21.51 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.123 0.487 . . . . 0.0 110.723 -177.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.425 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 29.3 tp -56.14 -48.03 77.05 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.261 -179.302 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.672 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 2.5 pp20? -58.92 -40.42 84.5 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.931 -177.23 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -59.42 -44.34 92.89 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.249 177.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -65.06 -55.38 19.17 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.365 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.497 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 3.9 pp -60.13 -19.39 53.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.406 -179.187 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.672 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 29.8 mmtm -69.79 -38.54 76.71 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 121.009 0.433 . . . . 0.0 111.156 179.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 61.0 mtp85 . . . . . 0 CA--C 1.509 -0.601 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.771 -179.022 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 60.3 tp . . . . . 0 CA--C 1.515 -0.381 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -61.76 -40.95 96.93 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.578 179.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -54.24 -49.73 68.81 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 121.023 0.44 . . . . 0.0 110.056 176.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -60.97 -43.75 98.31 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.04 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -61.33 -50.56 72.43 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.095 179.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.495 ' CD1' HD11 ' A' ' 19' ' ' ILE . 3.8 m-30 -53.92 -53.91 46.11 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.23 0.538 . . . . 0.0 110.411 176.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -54.98 -51.32 66.59 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.124 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -62.29 -42.81 99.67 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -176.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.37 -47.55 83.65 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-O 121.064 0.459 . . . . 0.0 110.578 -177.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -68.42 -33.58 74.47 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.191 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.421 ' O ' HG13 ' A' ' 99' ' ' ILE . 52.7 m -59.16 -46.71 87.68 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.075 176.085 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.465 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 92.0 mt -65.03 -39.21 93.05 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.85 178.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.542 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 47.1 t -56.35 -45.96 80.2 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.965 178.531 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.408 ' HE2' ' HA ' ' A' ' 98' ' ' LYS . 8.4 mmpt? -63.04 -41.5 99.51 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.399 -178.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 95' ' ' THR . 78.2 mt -63.53 -44.02 98.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.235 179.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 96' ' ' LEU . 99.3 mt -63.37 -41.31 98.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.772 179.321 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 97' ' ' SER . 90.3 mt -64.49 -44.94 89.4 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.989 179.36 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -62.12 -42.87 99.67 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.678 179.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -64.63 -34.45 78.31 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.525 -0.47 . . . . 0.0 109.833 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 17.1 tp -64.88 -45.49 85.76 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 178.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 101' ' ' LEU . 32.1 mmmt -57.96 -39.24 77.63 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.893 176.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.481 ' O ' ' HG3' ' A' ' 110' ' ' LYS . 8.6 tp10 -60.85 -38.79 86.76 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 177.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 27.8 m -62.11 -55.39 29.37 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.389 -178.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -56.07 -41.14 74.65 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.437 0.161 . . . . 0.0 111.359 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -61.45 -42.19 98.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.402 179.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' A' ' 106' ' ' GLU . 29.5 mtpp -63.86 -41.11 97.87 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.4 0.619 . . . . 0.0 110.546 178.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 95.1 t -59.79 -42.28 88.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.535 177.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -66.96 -24.08 66.02 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.574 177.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -77.94 -21.7 50.68 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.733 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.1 mp -78.41 149.35 5.77 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-O 120.795 0.331 . . . . 0.0 110.379 -179.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -90.95 166.06 13.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.359 177.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.413 ' HB ' ' HB3' ' A' ' 49' ' ' LYS . 3.6 p -154.39 156.27 36.53 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.798 -0.183 . . . . 0.0 111.266 -172.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.715 -0.66 . . . . 0.0 110.976 177.432 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.7 mt . . . . . 0 N--CA 1.464 0.243 0 CA-C-O 120.829 0.347 . . . . 0.0 111.283 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.616 HD11 ' CD1' ' A' ' 90' ' ' TYR . 22.5 mm -64.09 -39.25 84.81 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.407 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.073 178.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -60.38 -34.48 73.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.72 178.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -71.4 -51.48 23.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.207 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.43 -43.51 83.93 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.195 177.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 41.0 t-20 -60.4 -37.92 82.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.683 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -68.28 -43.74 77.06 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.457 179.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.26 -47.97 77.52 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 35.7 pt -64.75 -36.69 78.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.103 -179.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -59.62 -45.4 92.05 Favored 'General case' 0 C--O 1.247 0.969 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 176.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.553 ' HB3' ' HZ2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -65.87 -41.63 91.37 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.706 177.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.37 -44.74 96.36 Favored Glycine 0 C--N 1.34 0.776 0 C-N-CA 121.341 -0.457 . . . . 0.0 112.577 179.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.5 tt0 -57.45 -46.77 83.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.263 0.554 . . . . 0.0 110.647 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.474 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 44.9 t-80 -63.6 -45.05 92.12 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.602 -177.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -72.84 -31.79 65.03 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.854 -0.338 . . . . 0.0 111.52 -179.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -65.24 -48.39 73.44 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 178.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 31' ' ' HIS . 4.7 pp -64.43 -27.0 68.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.049 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -69.92 -56.72 6.3 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.191 176.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 71.1 mt -62.71 -36.02 81.61 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.469 -175.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -59.56 -40.6 87.84 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 178.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 42.6 t60 -70.04 -33.69 72.29 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.156 177.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -65.11 -43.83 90.75 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.458 HD21 ' HB ' ' A' ' 111' ' ' VAL . 0.3 OUTLIER -54.48 -41.17 69.23 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.147 175.661 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -59.57 -39.76 85.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.243 0.544 . . . . 0.0 109.985 178.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -67.05 -44.18 80.84 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.316 177.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 38.3 tp -55.65 -36.69 67.33 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.866 177.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.407 ' OD1' HD11 ' A' ' 114' ' ' ILE . 13.5 m-80 -62.15 -33.45 74.52 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.353 0.597 . . . . 0.0 111.076 178.06 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -85.69 -48.36 8.92 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.007 -178.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.464 ' ND2' ' HB2' ' A' ' 48' ' ' SER . 59.2 t30 -78.85 -31.26 45.57 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 121.059 0.456 . . . . 0.0 111.371 -177.107 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.46 ' O ' HG22 ' A' ' 116' ' ' THR . 0.2 OUTLIER 58.17 22.52 9.22 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.439 -178.535 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.464 ' HB2' ' ND2' ' A' ' 46' ' ' ASN . 25.8 t -62.82 119.04 8.58 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.889 -178.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.683 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.4 OUTLIER -63.48 -40.15 96.33 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.439 177.704 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.517 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 34.6 mt-10 -62.69 -45.98 90.28 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 177.259 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 63.6 tp -60.22 -40.69 91.03 Favored 'General case' 0 C--O 1.223 -0.327 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 176.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.45 ' HB3' ' O ' ' A' ' 49' ' ' LYS . 18.9 tt0 -55.63 -49.4 72.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.672 176.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -61.48 -47.04 87.46 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.45 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.517 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 14.4 mmmm -59.45 -40.91 88.35 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 178.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.7 mt -62.57 -47.82 91.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.168 178.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 52' ' ' GLN . 35.8 mm -59.86 -42.67 89.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-O 120.973 0.416 . . . . 0.0 110.619 177.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? -68.08 -44.92 75.18 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.895 -177.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.423 ' O ' HG23 ' A' ' 62' ' ' VAL . 7.5 tp10 -73.02 -34.8 66.57 Favored 'General case' 0 N--CA 1.432 -1.363 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.276 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.6 tp -61.99 -46.67 88.2 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 178.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -58.69 -49.66 76.74 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.142 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.3 p -63.02 -37.18 78.67 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 CA-C-O 120.821 0.343 . . . . 0.0 110.844 -178.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 58' ' ' GLU . 53.9 t -68.03 -44.85 84.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.166 177.575 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 76.3 m -61.75 -42.39 98.91 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.27 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.77 -48.05 67.44 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -178.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.444 ' HG3' HD12 ' A' ' 66' ' ' ILE . 21.3 ptp -65.36 -39.71 92.68 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.555 -178.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.444 HD12 ' HG3' ' A' ' 65' ' ' MET . 1.4 mp -64.77 -43.45 96.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.429 178.336 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -66.46 -37.88 86.11 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 120.806 0.336 . . . . 0.0 111.23 -179.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.98 -48.11 68.5 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 121.066 -0.588 . . . . 0.0 112.456 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.31 -40.89 86.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.966 -0.117 . . . . 0.0 110.747 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.66 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 16.3 mt-30 -62.77 -43.26 99.26 Favored 'General case' 0 C--O 1.21 -0.976 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.828 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.84 -43.77 93.31 Favored Glycine 0 C--O 1.239 0.414 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.554 -177.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.49 -54.19 26.76 Favored 'General case' 0 C--O 1.242 0.679 0 CA-C-O 121.336 0.589 . . . . 0.0 110.468 -178.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.562 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 53.2 tp -60.19 -41.84 93.79 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.177 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.66 ' HB2' ' O ' ' A' ' 70' ' ' GLN . 1.4 tm-20 -54.14 -51.71 63.41 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.996 0.427 . . . . 0.0 110.621 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 75' ' ' ARG . 16.2 ttm180 -58.31 -39.17 78.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.843 179.387 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -72.69 -55.85 6.18 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.244 -178.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.634 ' O ' ' HE2' ' A' ' 90' ' ' TYR . 3.5 pp -62.33 -21.16 65.06 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -178.42 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.456 ' N ' HD12 ' A' ' 77' ' ' LEU . 16.6 mmtp -68.36 -17.07 64.15 Favored 'General case' 0 C--N 1.305 -1.328 0 C-N-CA 119.74 -0.784 . . . . 0.0 111.892 -177.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 39.2 ttt85 . . . . . 0 N--CA 1.447 -0.606 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.969 178.293 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.8 tt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.496 0.188 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -59.1 -40.31 84.9 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.367 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -61.2 -45.08 96.06 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.161 0.505 . . . . 0.0 110.653 -178.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -70.23 -48.18 58.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.297 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -56.47 -50.72 70.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.523 -179.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.634 ' HE2' ' O ' ' A' ' 77' ' ' LEU . 4.1 m-30 -55.64 -44.72 77.43 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.816 176.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -59.79 -40.86 89.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.479 -179.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -65.64 -47.42 75.64 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.348 178.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.66 -46.29 84.42 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.715 0.293 . . . . 0.0 110.75 178.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.412 ' O ' ' HG3' ' A' ' 98' ' ' LYS . 50.2 mt-30 -58.61 -38.63 78.4 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.169 177.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.523 ' O ' HG13 ' A' ' 99' ' ' ILE . 97.6 m -60.88 -49.17 78.54 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.827 179.188 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 81.9 mt -67.98 -37.16 81.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.185 -178.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.449 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 43.3 m -58.12 -48.97 78.58 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.8 179.64 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.412 ' HG3' ' O ' ' A' ' 94' ' ' GLN . 95.4 mttt -65.07 -32.47 74.2 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.164 -178.355 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 95' ' ' THR . 72.0 mt -67.49 -46.0 84.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-O 120.998 0.428 . . . . 0.0 110.244 177.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -61.58 -45.64 93.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.433 -179.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 97' ' ' SER . 97.2 mt -59.8 -41.94 92.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.478 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -65.39 -40.13 93.08 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.215 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -68.6 -36.33 78.54 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 30.8 tp -65.44 -44.23 87.96 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 121.233 0.539 . . . . 0.0 109.885 178.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -59.24 -30.24 68.11 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.064 176.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -68.31 -32.43 72.56 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 176.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 17.6 m -63.44 -49.36 74.01 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 176.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -53.06 -46.31 68.49 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.722 175.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -59.59 -40.63 88.07 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.889 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.6 tppt? -64.55 -49.24 72.0 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.764 -178.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.458 ' HB ' HD21 ' A' ' 40' ' ' LEU . 7.7 p -67.69 -39.67 82.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.499 -177.082 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 17.5 pttp -69.38 -20.59 63.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.889 0.376 . . . . 0.0 110.544 178.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -77.29 -30.06 54.03 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.054 178.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.407 HD11 ' OD1' ' A' ' 44' ' ' ASN . 1.4 mp -70.92 119.17 16.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 CA-C-O 121.811 0.815 . . . . 0.0 111.405 -178.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 14.9 pm0 -76.91 117.7 18.77 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.763 -1.108 . . . . 0.0 110.441 175.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.461 ' HB ' ' HB3' ' A' ' 49' ' ' LYS . 11.7 p -118.45 -170.25 1.86 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.54 0.21 . . . . 0.0 111.369 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 55.4 tp60 . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.456 -0.783 . . . . 0.0 110.342 -178.516 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.483 HD13 ' HA ' ' A' ' 77' ' ' LEU . 64.2 mt . . . . . 0 C--O 1.24 0.601 0 CA-C-O 120.92 0.391 . . . . 0.0 111.507 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.524 HD11 ' HD1' ' A' ' 90' ' ' TYR . 18.2 mm -59.24 -33.63 51.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.245 179.035 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.09 -51.83 68.36 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -59.82 -38.38 81.82 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.353 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.08 -38.15 69.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.516 0.674 . . . . 0.0 109.958 -179.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.59 -34.92 79.39 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.752 178.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.17 -46.01 71.91 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.349 178.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.5 ' O ' ' HG2' ' A' ' 28' ' ' LYS . . . -60.98 -46.5 90.49 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 178.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.3 pt -63.87 -35.59 73.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.057 -0.657 . . . . 0.0 110.71 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.416 ' O ' ' HD2' ' A' ' 31' ' ' HIS . 49.3 tp10 -60.24 -50.46 73.58 Favored 'General case' 0 C--O 1.247 0.956 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.119 177.304 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -64.23 -42.71 96.44 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 120.464 -0.495 . . . . 0.0 109.878 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.73 -43.89 96.13 Favored Glycine 0 C--N 1.341 0.81 0 CA-C-N 116.361 -0.381 . . . . 0.0 113.096 179.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.419 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 41.0 mt-10 -57.31 -48.48 78.83 Favored 'General case' 0 CA--C 1.508 -0.673 0 CA-C-O 120.747 0.308 . . . . 0.0 111.213 179.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.416 ' HD2' ' O ' ' A' ' 27' ' ' GLU . 31.4 m-70 -67.31 -32.79 74.01 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.539 -0.464 . . . . 0.0 111.33 -178.063 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -69.1 -45.28 70.61 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 176.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 104' ' ' LEU . 1.8 tm? -61.06 -51.43 69.21 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.727 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 30' ' ' GLU . 42.1 mt -63.85 -29.39 70.58 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 120.927 0.394 . . . . 0.0 110.347 -179.255 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -66.37 -54.14 27.88 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.251 177.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.0 mt -61.01 -32.43 72.02 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.571 -179.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' A' ' 33' ' ' LEU . 87.3 mt-30 -61.66 -34.28 75.44 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.182 0.515 . . . . 0.0 110.265 177.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -70.48 -39.25 74.33 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.102 177.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -62.8 -42.17 99.59 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 177.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.523 HD21 ' HB3' ' A' ' 110' ' ' LYS . 3.2 tm? -50.13 -51.42 43.38 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.527 176.496 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -56.36 -43.51 79.21 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-O 120.963 0.411 . . . . 0.0 110.978 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -64.45 -45.94 85.28 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 121.452 0.644 . . . . 0.0 110.148 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 39.8 tp -56.27 -41.53 75.98 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.936 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -57.81 -34.68 69.9 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.858 0.361 . . . . 0.0 111.109 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -80.03 -44.9 19.31 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.035 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -77.39 -35.9 53.96 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -176.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.404 ' O ' HG22 ' A' ' 116' ' ' THR . 43.0 mmtm 58.53 21.55 8.72 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.576 -175.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.0 t -68.9 124.9 24.97 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.303 -176.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.697 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -63.61 -39.87 95.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.564 176.538 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -65.66 -45.92 81.13 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.116 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.416 ' O ' HG13 ' A' ' 55' ' ' ILE . 46.9 tp -62.87 -41.34 99.35 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 178.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -58.13 -43.94 87.53 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.896 178.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.769 ' O ' ' HG2' ' A' ' 57' ' ' ARG . 12.3 mm-40 -59.22 -51.21 70.96 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.621 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -63.69 -41.79 98.1 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.718 0.294 . . . . 0.0 110.616 -177.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.518 ' O ' ' HB2' ' A' ' 59' ' ' LEU . 81.8 mt -59.28 -41.36 83.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.325 179.078 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 80.6 mt -72.26 -36.56 56.09 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 178.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.769 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 31.3 mmt180 -66.45 -52.2 48.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.016 -178.109 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.47 -32.99 74.71 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.998 179.464 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.518 ' HB2' ' O ' ' A' ' 55' ' ' ILE . 5.7 tt -62.6 -46.66 87.28 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 177.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -59.01 -45.74 89.95 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.43 -178.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 57' ' ' ARG . 61.6 t -62.16 -47.96 90.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.949 0.404 . . . . 0.0 111.202 -179.397 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.5 t -66.83 -39.83 84.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.721 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 43.6 t -61.99 -41.59 98.21 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.051 0.453 . . . . 0.0 109.995 178.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.45 -49.57 73.15 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.61 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.451 ' HG3' HD12 ' A' ' 66' ' ' ILE . 22.4 ptp -64.74 -35.67 81.83 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.554 -0.459 . . . . 0.0 110.62 -178.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.451 HD12 ' HG3' ' A' ' 65' ' ' MET . 1.4 mp -67.6 -46.94 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.094 178.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -62.31 -35.13 78.09 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.188 0.518 . . . . 0.0 110.094 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.27 -43.74 94.78 Favored Glycine 0 N--CA 1.438 -1.179 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.74 178.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 73' ' ' LEU . . . -70.27 -41.55 73.29 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 115.867 -0.167 . . . . 0.0 111.062 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -57.16 -43.21 82.32 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.226 0.536 . . . . 0.0 110.146 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.72 -46.61 73.92 Favored Glycine 0 CA--C 1.525 0.676 0 CA-C-N 115.189 -0.914 . . . . 0.0 112.701 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.53 -29.35 64.66 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-O 121.207 0.527 . . . . 0.0 111.33 -176.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.618 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 1.3 mm? -73.22 -56.45 5.07 Favored 'General case' 0 CA--C 1.5 -0.972 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.332 -174.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -56.68 -45.49 81.71 Favored 'General case' 0 C--O 1.215 -0.716 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.041 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 52.8 ttp180 -53.79 -47.83 70.39 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.75 -179.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.92 -56.22 4.78 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -179.025 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 4.3 pp -58.47 -26.2 63.12 Favored 'General case' 0 C--O 1.217 -0.622 0 N-CA-C 112.789 0.662 . . . . 0.0 112.789 -176.144 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.442 ' N ' HD12 ' A' ' 77' ' ' LEU . 11.0 mmmm -72.35 -31.77 65.91 Favored 'General case' 0 N--CA 1.435 -1.212 0 CA-C-O 121.077 0.465 . . . . 0.0 111.575 -178.152 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 . . . . . 0 CA--C 1.511 -0.553 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.997 -177.488 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.6 tm? . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -61.13 -45.48 94.47 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.214 177.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.6 ppt_? -62.52 -32.55 73.51 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 120.166 -0.614 . . . . 0.0 110.577 -178.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -69.76 -41.9 74.58 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.391 177.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -59.03 -49.34 78.25 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.308 0.575 . . . . 0.0 109.532 177.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.524 ' HD1' HD11 ' A' ' 19' ' ' ILE . 4.4 m-30 -55.97 -47.59 77.38 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.277 178.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -56.0 -46.71 78.66 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.72 178.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -63.33 -48.84 76.34 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.079 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.43 -44.88 85.04 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.129 0.49 . . . . 0.0 110.527 179.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -60.35 -42.19 95.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.858 177.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.499 ' O ' HG13 ' A' ' 99' ' ' ILE . 63.1 m -58.92 -53.36 59.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.27 177.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 86.7 mt -68.93 -39.26 79.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.881 -175.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.428 ' O ' HD23 ' A' ' 101' ' ' LEU . 31.6 p -60.84 -51.1 70.76 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -177.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -67.45 -29.61 69.11 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 120.562 -0.455 . . . . 0.0 111.38 -178.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 95' ' ' THR . 74.7 mt -64.16 -45.33 96.72 Favored 'Isoleucine or valine' 0 C--N 1.343 0.295 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 175.098 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 69.0 tp -62.8 -45.96 90.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.138 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.428 HD23 ' O ' ' A' ' 97' ' ' SER . 4.1 mm? -60.38 -43.29 96.74 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.965 179.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 22.2 ttpp -60.3 -52.21 66.23 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.231 178.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.65 -34.06 70.79 Favored 'General case' 0 C--O 1.242 0.687 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.464 ' HA ' HD23 ' A' ' 33' ' ' LEU . 61.1 tp -63.45 -48.0 79.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.992 0.425 . . . . 0.0 110.132 177.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.441 ' O ' ' HG3' ' A' ' 109' ' ' GLN . 95.0 mttt -60.62 -32.07 71.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.159 178.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -62.73 -42.23 99.56 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.538 0.685 . . . . 0.0 109.516 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.516 ' O ' HG23 ' A' ' 111' ' ' VAL . 10.8 m -66.79 -47.13 73.07 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.133 -0.94 . . . . 0.0 109.966 179.504 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -51.75 -52.07 51.48 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 122.448 0.299 . . . . 0.0 111.45 177.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.441 ' HG3' ' O ' ' A' ' 105' ' ' LYS . 77.4 mt-30 -54.68 -41.85 70.7 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.266 178.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.523 ' HB3' HD21 ' A' ' 40' ' ' LEU . 5.8 ttmm -62.92 -45.49 92.25 Favored 'General case' 0 N--CA 1.438 -1.039 0 CA-C-O 121.385 0.612 . . . . 0.0 110.611 179.437 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 107' ' ' THR . 99.0 t -58.83 -51.83 67.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.684 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 109' ' ' GLN . 13.5 ptmm? -69.1 -21.81 64.02 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.454 -178.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -79.15 -21.62 46.24 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.3 mp -71.49 120.48 19.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 174.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -71.19 123.18 21.61 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.083 0.468 . . . . 0.0 111.127 177.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.404 HG22 ' O ' ' A' ' 47' ' ' LYS . 60.5 p -115.95 -174.49 2.55 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.74 177.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 . . . . . 0 C--O 1.253 1.268 0 C-N-CA 123.194 0.598 . . . . 0.0 110.91 -179.312 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.424 ' HA ' HD11 ' A' ' 73' ' ' LEU . 84.1 mt . . . . . 0 N--CA 1.476 0.83 0 CA-C-O 121.349 0.595 . . . . 0.0 111.522 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.554 HD11 ' CD1' ' A' ' 90' ' ' TYR . 27.4 mm -66.54 -25.63 35.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.12 0.486 . . . . 0.0 109.915 178.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -57.33 -53.46 57.87 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.056 177.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -61.88 -44.4 96.88 Favored 'General case' 0 CA--C 1.501 -0.925 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.953 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.78 -52.83 62.61 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.156 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -66.83 -40.91 88.15 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -69.74 -40.29 76.28 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 119.722 -0.791 . . . . 0.0 111.057 -179.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.13 -41.79 98.6 Favored 'General case' 0 C--O 1.225 -0.214 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 178.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.2 pt -68.6 -35.78 71.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 C-N-CA 120.418 -0.513 . . . . 0.0 111.306 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.62 -47.67 77.72 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 120.911 0.386 . . . . 0.0 110.334 176.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -65.08 -45.08 86.71 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.447 ' O ' ' HG3' ' A' ' 32' ' ' GLN . . . -58.75 -44.86 95.56 Favored Glycine 0 N--CA 1.444 -0.798 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.853 179.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.415 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 38.4 tt0 -61.51 -47.82 83.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.132 0.491 . . . . 0.0 110.91 -179.512 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -64.04 -45.1 90.33 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.585 -176.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.456 ' CD ' HG11 ' A' ' 62' ' ' VAL . 4.5 pp0? -71.25 -31.7 67.84 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.606 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.541 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 2.2 tm? -66.85 -46.34 75.38 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 178.364 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 30' ' ' GLU . 95.1 mt -65.01 -30.12 71.08 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 178.22 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -66.29 -55.94 13.63 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.099 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.45 ' CD1' HG21 ' A' ' 107' ' ' THR . 4.7 pp -62.82 -28.01 69.71 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.617 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.541 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 74.1 mm-40 -53.11 -39.84 63.73 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -64.9 -44.8 88.4 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.973 177.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -55.14 -52.6 62.78 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.063 178.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -50.44 -51.88 42.84 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.232 178.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -60.45 -39.07 86.23 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.269 0.557 . . . . 0.0 110.978 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -63.24 -41.2 99.06 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.351 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.4 ' CD2' HG23 ' A' ' 111' ' ' VAL . 51.7 tp -64.57 -35.19 80.18 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 122.481 0.312 . . . . 0.0 111.774 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -58.79 -33.8 70.75 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.146 0.498 . . . . 0.0 110.391 -178.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -84.07 -45.75 12.71 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.643 -179.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -74.18 -34.34 63.74 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 120.778 0.323 . . . . 0.0 111.461 -176.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.516 ' O ' HG22 ' A' ' 116' ' ' THR . 7.3 tppt? 57.33 21.3 6.62 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.678 -176.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.8 t -66.58 119.14 11.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.93 -179.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.501 ' HD2' ' N ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -61.97 -42.22 98.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.003 178.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.501 ' N ' ' HD2' ' A' ' 49' ' ' LYS . 4.3 pt-20 -67.78 -37.05 81.54 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 178.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 51.8 tp -63.62 -42.3 98.2 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.603 -0.439 . . . . 0.0 109.857 175.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.459 ' O ' HG22 ' A' ' 56' ' ' ILE . 2.6 tt0 -57.36 -43.76 83.78 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.507 176.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -56.87 -48.6 77.74 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.63 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -64.07 -45.37 89.04 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.984 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 82.0 mt -63.04 -52.0 64.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.194 -177.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.459 HG22 ' O ' ' A' ' 52' ' ' GLN . 16.3 tt -68.81 -33.18 57.99 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 C-N-CA 120.462 -0.495 . . . . 0.0 111.338 -178.028 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.436 ' HD3' HG23 ' A' ' 56' ' ' ILE . 1.0 OUTLIER -69.22 -43.93 73.1 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.912 -0.131 . . . . 0.0 111.2 179.026 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -65.96 -33.68 76.37 Favored 'General case' 0 CA--C 1.517 -0.299 0 C-N-CA 119.986 -0.686 . . . . 0.0 110.154 177.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.414 HD13 ' O ' ' A' ' 59' ' ' LEU . 2.3 tm? -63.86 -46.23 85.92 Favored 'General case' 0 C--O 1.221 -0.431 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 177.399 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.55 ' HA ' ' SG ' ' A' ' 63' ' ' CYS . 22.9 t70 -57.73 -44.59 86.12 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.257 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 57' ' ' ARG . 50.6 t -61.03 -47.66 92.58 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.195 178.524 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.456 HG11 ' CD ' ' A' ' 32' ' ' GLN . 89.7 t -71.57 -44.02 70.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -178.303 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.55 ' SG ' ' HA ' ' A' ' 60' ' ' ASP . 26.1 p -63.7 -37.5 87.58 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 119.795 -0.762 . . . . 0.0 110.215 -179.24 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.81 -43.96 82.46 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.933 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.462 ' HG3' HD12 ' A' ' 66' ' ' ILE . 21.3 ptp -70.62 -38.86 73.99 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.405 -0.518 . . . . 0.0 110.198 -179.169 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.516 ' O ' ' HB2' ' A' ' 70' ' ' GLN . 1.5 mp -63.41 -42.95 98.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.837 178.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -69.98 -36.94 75.58 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 120.813 0.339 . . . . 0.0 111.312 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.73 -47.19 69.19 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.091 -178.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.33 -37.78 80.88 Favored 'General case' 0 C--O 1.217 -0.627 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.516 ' HB2' ' O ' ' A' ' 66' ' ' ILE . 0.1 OUTLIER -60.89 -42.39 97.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.165 0.507 . . . . 0.0 109.671 -179.757 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -68.8 -45.81 63.28 Favored Glycine 0 CA--C 1.524 0.597 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.789 -178.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.99 -35.05 71.95 Favored 'General case' 0 C--O 1.249 1.042 0 CA-C-O 121.362 0.601 . . . . 0.0 111.029 -176.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.424 HD11 ' HA ' ' A' ' 18' ' ' LEU . 27.4 tp -74.17 -48.84 26.52 Favored 'General case' 0 CA--C 1.502 -0.885 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.011 -174.395 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.489 ' HA ' ' HG ' ' A' ' 77' ' ' LEU . 0.6 OUTLIER -59.19 -39.05 81.35 Favored 'General case' 0 N--CA 1.437 -1.116 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.894 -179.116 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.437 ' HA ' ' NE ' ' A' ' 75' ' ' ARG . 0.5 OUTLIER -59.14 -39.67 83.1 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.322 178.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -68.9 -56.69 7.1 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.726 0.298 . . . . 0.0 110.902 177.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.489 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 4.0 pp -63.34 -20.21 65.31 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -177.126 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -68.17 -9.02 43.68 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 -177.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 . . . . . 0 CA--C 1.534 0.349 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -174.112 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.1 tt . . . . . 0 C--O 1.233 0.225 0 CA-C-O 120.589 0.233 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -56.87 -49.54 75.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.499 -178.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -60.4 -39.58 87.87 Favored 'General case' 0 C--O 1.226 -0.132 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.872 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -62.18 -41.47 98.36 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.523 178.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.94 -48.19 74.99 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.687 179.347 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.554 ' CD1' HD11 ' A' ' 19' ' ' ILE . 3.6 m-30 -54.82 -53.95 48.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.102 178.001 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -56.69 -47.14 80.57 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.565 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -65.22 -45.77 83.35 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.329 -178.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.23 -46.69 82.74 Favored 'General case' 0 C--N 1.341 0.229 0 CA-C-O 120.632 0.253 . . . . 0.0 111.015 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 -62.82 -37.98 88.93 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.529 178.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.506 ' O ' HG13 ' A' ' 99' ' ' ILE . 89.2 m -59.17 -51.35 70.38 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.574 178.615 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 98.3 mt -69.9 -36.77 75.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.936 -178.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 23.2 t -58.93 -50.58 73.52 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.552 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -63.58 -34.4 77.73 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.245 -179.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 95' ' ' THR . 74.5 mt -63.53 -42.85 97.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-O 121.069 0.461 . . . . 0.0 109.851 177.287 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.422 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 87.8 mt -63.86 -40.41 96.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.783 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 83.1 mt -60.77 -44.56 96.61 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.74 178.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -65.48 -33.99 77.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.222 179.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.419 ' O ' ' HB3' ' A' ' 106' ' ' GLU . 7.9 t70 -71.4 -42.09 68.8 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.368 -0.533 . . . . 0.0 109.891 179.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.436 HD23 HD23 ' A' ' 33' ' ' LEU . 96.3 mt -57.65 -44.87 85.97 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.851 0.358 . . . . 0.0 110.984 175.376 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.455 ' HA ' ' HG2' ' A' ' 108' ' ' GLU . 66.3 mttm -61.73 -30.61 70.89 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.046 0.451 . . . . 0.0 111.255 177.507 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.419 ' HB3' ' O ' ' A' ' 103' ' ' ASP . 17.8 tp10 -68.31 -43.07 78.43 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.829 177.384 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.45 HG21 ' CD1' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -69.96 -48.96 56.24 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.232 -179.082 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.455 ' HG2' ' HA ' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -53.98 -41.62 68.07 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.592 0.234 . . . . 0.0 111.23 177.716 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.555 ' O ' ' HG2' ' A' ' 112' ' ' LYS . 51.5 tt0 -63.08 -38.95 93.22 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-O 120.755 0.312 . . . . 0.0 110.919 177.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.469 ' O ' ' HB3' ' A' ' 113' ' ' ASP . 31.7 mttp -67.56 -45.9 74.27 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -179.114 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.4 HG23 ' CD2' ' A' ' 43' ' ' LEU . 7.6 p -64.34 -40.61 89.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.917 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.555 ' HG2' ' O ' ' A' ' 109' ' ' GLN . 10.7 ptmm? -73.27 -18.91 61.17 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.114 0.483 . . . . 0.0 110.348 177.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.469 ' HB3' ' O ' ' A' ' 110' ' ' LYS . 17.9 t70 -71.57 -32.72 68.39 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.778 178.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.476 HG22 HG23 ' A' ' 116' ' ' THR . 1.3 mp -72.93 123.69 28.25 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 CA-C-O 121.853 0.835 . . . . 0.0 111.04 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -80.3 119.31 22.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.784 -1.098 . . . . 0.0 109.565 178.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.516 HG22 ' O ' ' A' ' 47' ' ' LYS . 18.5 p -122.83 177.1 5.63 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 112.562 0.578 . . . . 0.0 112.562 -177.384 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 . . . . . 0 C--O 1.25 1.114 0 CA-C-N 115.155 -0.929 . . . . 0.0 111.089 179.754 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.429 HD12 ' N ' ' A' ' 18' ' ' LEU . 5.4 mp . . . . . 0 N--CA 1.452 -0.368 0 CA-C-O 120.892 0.377 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.59 HD11 ' CD1' ' A' ' 90' ' ' TYR . 20.2 mm -65.4 -32.81 59.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.198 176.678 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -60.57 -50.63 72.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.547 177.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -62.71 -31.12 71.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.873 179.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.87 -45.18 36.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.52 0.676 . . . . 0.0 110.011 -179.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.46 -34.71 78.53 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.666 179.468 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -70.04 -45.24 67.56 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.554 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.62 -47.61 85.46 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.3 pt -64.35 -35.72 75.03 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.351 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.137 -179.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -59.98 -50.32 74.21 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.422 0.63 . . . . 0.0 109.328 177.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -65.55 -47.61 75.25 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.836 -178.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.409 ' O ' ' HG3' ' A' ' 32' ' ' GLN . . . -60.71 -43.49 99.02 Favored Glycine 0 C--O 1.222 -0.595 0 CA-C-N 115.92 -0.582 . . . . 0.0 113.049 -179.256 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -63.33 -40.18 96.6 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.239 0.542 . . . . 0.0 110.478 -178.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.438 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 20.6 t-80 -66.22 -48.58 70.1 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.893 -178.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -67.2 -28.53 68.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.265 179.136 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.622 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 1.9 tm? -69.15 -49.35 57.69 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 178.061 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 31' ' ' HIS . 4.6 pp -65.27 -30.3 71.16 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.512 -178.544 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 92.8 t80 -67.0 -47.67 70.78 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.98 177.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.457 HD13 ' O ' ' A' ' 36' ' ' LEU . 2.3 tm? -60.75 -35.52 76.6 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.423 -179.395 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.622 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 13.6 mm-40 -58.88 -32.64 69.67 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.011 0.434 . . . . 0.0 110.88 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -71.4 -33.24 69.3 Favored 'General case' 0 C--O 1.246 0.903 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.566 178.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -71.28 -42.13 69.13 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.529 178.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.9 tp -52.5 -45.12 66.07 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.574 174.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -57.13 -39.58 75.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.055 177.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -67.02 -42.06 85.56 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.741 176.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.6 tp -56.54 -40.15 74.6 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.954 178.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.485 ' O ' ' HE3' ' A' ' 47' ' ' LYS . 18.6 m-80 -58.52 -36.74 74.32 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.085 0.469 . . . . 0.0 110.804 177.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -82.02 -46.39 14.01 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.773 -178.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -76.53 -35.76 58.1 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 -176.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.485 ' HE3' ' O ' ' A' ' 44' ' ' ASN . 34.2 mmtp 58.7 22.74 10.3 Favored 'General case' 0 N--CA 1.483 1.222 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.517 -177.106 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.9 t -69.08 121.44 16.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.669 -178.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.686 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -60.92 -45.19 95.67 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.915 179.406 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.525 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 9.1 pt-20 -68.04 -30.99 70.34 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.668 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 59.1 tp -68.52 -45.04 73.3 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 177.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -57.32 -44.65 84.36 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.278 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.714 ' O ' ' HG2' ' A' ' 57' ' ' ARG . 35.2 tt0 -63.26 -47.7 81.3 Favored 'General case' 0 N--CA 1.429 -1.505 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.11 -178.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.525 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 44.3 mtmt -63.08 -42.47 99.64 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.56 -179.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.411 HG23 HD11 ' A' ' 36' ' ' LEU . 64.5 mt -58.08 -45.46 88.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.978 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 15.5 tt -71.76 -30.31 37.34 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.046 178.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.714 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 10.2 mmt180 -67.12 -52.74 37.96 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.892 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -69.41 -33.43 72.99 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.472 -178.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 51.3 tp -63.38 -43.52 97.37 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -63.45 -48.84 76.06 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.247 -178.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 31.5 m -63.67 -38.22 81.71 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 C-N-CA 120.614 -0.434 . . . . 0.0 111.692 -177.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 89.1 t -71.53 -37.25 63.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 177.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.501 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 50.8 t -62.98 -42.77 99.93 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 178.48 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.7 -49.81 64.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.665 -177.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.439 ' HG3' HD12 ' A' ' 66' ' ' ILE . 23.1 ptp -61.04 -38.0 84.62 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.509 -179.418 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.439 HD12 ' HG3' ' A' ' 65' ' ' MET . 1.4 mp -66.66 -41.64 88.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.993 178.396 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.501 ' HG3' ' O ' ' A' ' 63' ' ' CYS . 44.1 mt-10 -64.31 -37.01 85.97 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 121.16 0.505 . . . . 0.0 110.669 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.78 -46.59 73.57 Favored Glycine 0 N--CA 1.443 -0.877 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.469 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.45 -42.26 79.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.898 -0.151 . . . . 0.0 110.955 -178.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.447 ' HG2' ' HA ' ' A' ' 67' ' ' GLU . 18.0 pt20 -64.11 -39.73 94.67 Favored 'General case' 0 C--O 1.217 -0.638 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.58 -178.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.96 -43.24 91.77 Favored Glycine 0 C--O 1.243 0.673 0 C-N-CA 121.129 -0.558 . . . . 0.0 112.194 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.14 -51.8 54.48 Favored 'General case' 0 C--O 1.244 0.778 0 CA-C-O 121.369 0.604 . . . . 0.0 109.807 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.63 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 34.0 tp -58.86 -42.94 90.57 Favored 'General case' 0 C--O 1.219 -0.53 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.158 179.545 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.457 ' OE2' HD11 ' A' ' 77' ' ' LEU . 5.9 mm-40 -53.99 -52.29 61.19 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 120.812 0.339 . . . . 0.0 111.475 179.501 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 -58.74 -38.29 78.06 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -73.51 -56.12 5.45 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.331 -179.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.63 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 2.9 pp -61.67 -28.07 69.13 Favored 'General case' 0 C--O 1.214 -0.768 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -178.314 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.597 ' N ' HD12 ' A' ' 77' ' ' LEU . 11.2 mptt -64.75 -43.84 92.01 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 121.398 0.618 . . . . 0.0 110.694 -177.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 80.2 mtm180 . . . . . 0 C--N 1.324 -0.541 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.424 -179.679 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.8 tt . . . . . 0 C--O 1.236 0.349 0 N-CA-C 109.919 -0.401 . . . . 0.0 109.919 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.59 -39.5 73.64 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.015 178.565 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -57.71 -46.85 83.82 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.541 0.686 . . . . 0.0 110.266 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -61.93 -42.67 99.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.963 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -63.43 -43.54 97.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.95 178.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.59 ' CD1' HD11 ' A' ' 19' ' ' ILE . 3.4 m-85 -55.06 -55.53 30.02 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.919 175.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.02 -42.1 79.78 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.574 -179.389 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -65.57 -48.3 72.85 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.256 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.9 -40.81 90.05 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.144 0.497 . . . . 0.0 110.892 178.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -61.34 -43.26 99.18 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.566 178.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.442 ' O ' HG13 ' A' ' 99' ' ' ILE . 79.9 m -58.42 -47.15 84.87 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.182 177.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 92.7 mt -69.84 -42.1 74.06 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -177.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.3 p -60.77 -41.94 96.47 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.381 0.61 . . . . 0.0 111.01 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -59.48 -45.44 91.66 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.717 178.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 95' ' ' THR . 79.1 mt -60.36 -43.18 93.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.716 178.121 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.407 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 67.9 tp -59.65 -50.89 72.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.588 -179.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.438 ' O ' ' HG2' ' A' ' 105' ' ' LYS . 4.4 mm? -58.99 -44.06 91.53 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.656 -178.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -59.18 -47.03 86.82 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.709 178.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -59.42 -38.54 80.9 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 110.455 -0.202 . . . . 0.0 110.455 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.57 HD23 HD23 ' A' ' 33' ' ' LEU . 95.0 mt -63.44 -53.68 48.44 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.908 0.385 . . . . 0.0 110.771 179.162 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.485 ' O ' ' HB3' ' A' ' 108' ' ' GLU . 1.0 OUTLIER -62.62 -32.74 73.81 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.855 -178.063 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -65.55 -38.38 89.44 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 176.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.558 ' O ' HG23 ' A' ' 111' ' ' VAL . 57.1 m -63.13 -45.3 92.61 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.229 178.347 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.485 ' HB3' ' O ' ' A' ' 105' ' ' LYS . 18.7 tt0 -49.74 -51.98 34.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.525 175.569 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 105' ' ' LYS . 62.8 mt-30 -59.26 -39.29 82.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 178.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.466 ' O ' ' HB3' ' A' ' 113' ' ' ASP . 3.2 tppp? -68.56 -39.03 81.21 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.124 0.488 . . . . 0.0 111.688 -178.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 107' ' ' THR . 97.8 t -60.53 -43.3 94.13 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.395 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 177.097 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -71.87 -21.31 61.68 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.598 177.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.466 ' HB3' ' O ' ' A' ' 110' ' ' LYS . 23.3 t70 -68.5 -35.75 77.95 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.958 -179.182 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.453 HD11 ' OD1' ' A' ' 44' ' ' ASN . 1.7 mp -70.77 122.49 22.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.072 0.463 . . . . 0.0 110.454 178.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -78.91 122.75 26.51 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.742 177.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 65.9 p -115.96 -173.64 2.39 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.765 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.477 ' HB2' ' HD2' ' A' ' 49' ' ' LYS . 52.1 mt-30 . . . . . 0 C--O 1.241 0.611 0 CA-C-O 118.688 -0.672 . . . . 0.0 110.321 178.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.2 mp . . . . . 0 C--O 1.243 0.733 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.583 HD11 ' CD1' ' A' ' 90' ' ' TYR . 28.3 mm -67.8 -33.84 64.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.066 -179.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -61.3 -38.4 86.67 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 120.878 0.37 . . . . 0.0 110.454 178.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -71.27 -30.37 66.21 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 121.148 0.499 . . . . 0.0 111.01 179.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.61 -45.33 38.1 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 121.707 0.765 . . . . 0.0 109.469 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -62.76 -38.1 89.25 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-N 114.464 -1.243 . . . . 0.0 110.402 178.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -66.95 -44.37 80.73 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.436 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.29 -44.92 96.42 Favored 'General case' 0 C--N 1.334 -0.082 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.8 pt -67.86 -31.54 52.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.62 -178.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -67.44 -45.95 74.54 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 176.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -65.37 -44.83 86.36 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.269 -179.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.2 -40.93 94.49 Favored Glycine 0 C--O 1.221 -0.669 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.917 178.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -62.48 -40.47 96.79 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.276 0.56 . . . . 0.0 110.365 179.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.34 -51.16 64.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.107 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.33 -29.17 65.81 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.432 -178.326 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -68.05 -50.64 53.97 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 179.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 pp -66.7 -30.1 70.26 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.345 0.593 . . . . 0.0 110.137 -179.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -68.99 -56.93 6.29 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.504 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.3 tt -63.63 -33.6 75.97 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.745 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -59.98 -38.31 82.2 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 178.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -65.86 -43.94 86.91 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.483 176.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -56.94 -46.42 82.08 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.496 176.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -52.92 -46.13 67.94 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.831 177.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -58.31 -41.46 84.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.247 0.546 . . . . 0.0 109.908 178.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -66.16 -37.43 85.63 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.865 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.1 tp -65.5 -31.48 72.57 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-O 120.61 0.243 . . . . 0.0 110.491 179.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -59.1 -36.2 74.72 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 121.231 0.539 . . . . 0.0 110.6 178.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -89.73 -39.96 12.82 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.571 179.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.408 ' OD1' ' HB2' ' A' ' 48' ' ' SER . 6.4 t-20 -75.34 -36.41 61.04 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -174.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp 55.86 18.96 3.25 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 -178.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.408 ' HB2' ' OD1' ' A' ' 46' ' ' ASN . 26.5 t -69.38 126.13 28.82 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 179.145 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.568 ' HD3' ' HB2' ' A' ' 117' ' ' GLN . 12.5 pttt -59.68 -42.38 92.78 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.209 175.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -60.18 -46.34 90.03 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.651 178.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.9 tp -62.73 -39.42 94.03 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.183 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -60.17 -48.5 81.46 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.598 177.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.556 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 39.4 mm-40 -58.42 -47.86 82.55 Favored 'General case' 0 C--O 1.224 -0.245 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.709 -178.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -63.4 -41.13 98.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.049 -179.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 70.4 mt -64.04 -53.11 47.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.333 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 14.1 tt -66.29 -34.88 73.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.361 -178.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.556 ' HB2' ' O ' ' A' ' 53' ' ' GLU . 2.3 mpt_? -65.57 -44.81 85.55 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 120.63 0.252 . . . . 0.0 110.348 179.083 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -70.33 -37.48 74.71 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.683 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.7 tt -62.83 -41.87 99.5 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -59.89 -48.75 80.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.327 178.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 57' ' ' ARG . 78.6 t -60.52 -47.26 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-O 120.963 0.411 . . . . 0.0 110.91 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 86.0 t -64.6 -40.78 90.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.412 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 42.7 t -62.98 -42.69 99.91 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.84 -49.32 68.58 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 122.554 0.342 . . . . 0.0 111.528 -179.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.415 ' HG3' HD12 ' A' ' 66' ' ' ILE . 21.4 ptp -62.12 -36.07 80.64 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.511 -0.475 . . . . 0.0 110.24 -179.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.415 HD12 ' HG3' ' A' ' 65' ' ' MET . 1.4 mp -67.23 -42.87 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.659 177.518 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -62.69 -42.99 99.92 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.779 0.323 . . . . 0.0 110.957 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.02 -47.4 74.14 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.977 -0.63 . . . . 0.0 113.117 -178.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.94 -42.6 80.74 Favored 'General case' 0 N--CA 1.451 -0.423 0 O-C-N 123.092 -0.064 . . . . 0.0 110.978 -178.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -63.04 -38.95 93.22 Favored 'General case' 0 C--O 1.221 -0.399 0 C-N-CA 120.524 -0.471 . . . . 0.0 110.695 -178.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -70.17 -45.27 56.78 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.402 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.98 -54.91 20.2 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-O 120.939 0.399 . . . . 0.0 110.633 -177.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.658 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 47.9 tp -54.89 -45.42 74.68 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.453 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.671 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 6.5 mm-40 -55.12 -53.66 53.13 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-O 120.654 0.264 . . . . 0.0 111.593 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 75' ' ' ARG . 55.7 mtt180 -57.45 -42.2 82.04 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -177.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -73.1 -52.15 15.36 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.84 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.658 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 2.9 pp -59.03 -21.79 59.66 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -179.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.671 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 59.2 mmtt -66.53 -15.84 63.69 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 120.687 0.28 . . . . 0.0 111.389 -178.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? . . . . . 0 C--O 1.234 0.241 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.254 179.373 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 54.8 tp . . . . . 0 N--CA 1.452 -0.367 0 CA-C-O 120.513 0.197 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -57.02 -44.19 82.6 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.646 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -61.01 -42.52 98.62 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.183 0.516 . . . . 0.0 110.286 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -62.45 -50.1 72.82 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.781 178.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -60.78 -51.72 68.11 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.029 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.583 ' CD1' HD11 ' A' ' 19' ' ' ILE . 3.3 m-30 -55.19 -53.28 58.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.645 -179.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -56.29 -46.69 79.67 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.135 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -67.28 -38.01 84.37 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.425 -177.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.79 -48.9 75.02 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 121.193 0.521 . . . . 0.0 109.853 178.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.419 ' HG3' ' HZ2' ' A' ' 98' ' ' LYS . 6.3 tp-100 -59.91 -38.45 82.36 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.111 178.358 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.481 ' O ' HG13 ' A' ' 99' ' ' ILE . 99.3 m -61.89 -49.05 77.74 Favored 'General case' 0 C--O 1.245 0.85 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.101 177.426 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 89.7 mt -70.03 -35.47 74.33 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.726 0.298 . . . . 0.0 110.71 -178.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.419 ' O ' HD23 ' A' ' 101' ' ' LEU . 22.9 t -57.73 -47.43 82.44 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.195 179.092 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.591 ' O ' ' HG3' ' A' ' 102' ' ' LYS . 51.1 mttp -64.11 -34.62 78.47 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.071 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 95' ' ' THR . 84.5 mt -63.41 -45.62 97.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-O 121.06 0.457 . . . . 0.0 110.257 179.265 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -60.52 -46.01 91.72 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.449 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 97' ' ' SER . 4.3 mm? -61.14 -41.68 97.18 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.674 -179.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.591 ' HG3' ' O ' ' A' ' 98' ' ' LYS . 9.3 mtmp? -61.04 -46.28 91.34 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.699 -0.401 . . . . 0.0 110.322 178.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.408 ' O ' ' HB3' ' A' ' 106' ' ' GLU . 1.4 m-20 -62.45 -36.49 82.6 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.776 178.318 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 37.3 tp -64.54 -46.68 81.8 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 121.228 0.537 . . . . 0.0 110.413 178.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -61.86 -26.27 68.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 177.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.557 ' O ' ' HG2' ' A' ' 110' ' ' LYS . 10.0 tp10 -66.7 -42.72 85.99 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 175.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 8.2 p -68.37 -40.63 81.36 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.582 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -52.33 -47.41 66.04 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.338 0.59 . . . . 0.0 110.552 174.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.44 ' HA ' ' HE3' ' A' ' 112' ' ' LYS . 29.9 tt0 -61.35 -40.07 92.93 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.931 178.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.557 ' HG2' ' O ' ' A' ' 106' ' ' GLU . 74.9 mmtt -64.54 -48.78 73.8 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.966 0.413 . . . . 0.0 111.898 -179.062 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.6 p -62.52 -40.82 89.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.276 -178.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.44 ' HE3' ' HA ' ' A' ' 109' ' ' GLN . 16.4 pttp -73.56 -15.22 61.29 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 120.971 0.415 . . . . 0.0 110.93 177.658 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -79.88 -31.22 40.31 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.815 179.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.7 mp -74.49 115.37 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-O 121.131 0.491 . . . . 0.0 110.658 178.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -73.91 123.88 25.1 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.61 177.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 24.9 p -114.65 -173.65 2.34 Favored 'General case' 0 C--N 1.305 -1.348 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.208 178.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.568 ' HB2' ' HD3' ' A' ' 49' ' ' LYS . 76.5 mt-30 . . . . . 0 C--O 1.244 0.811 0 CA-C-O 118.384 -0.817 . . . . 0.0 110.417 -178.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 . . . . . 0 N--CA 1.475 0.804 0 CA-C-O 120.93 0.395 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -119.2 121.4 39.61 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.386 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -86.54 102.8 14.45 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.061 -178.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -63.47 144.42 97.67 Favored Pre-proline 0 C--N 1.318 -0.786 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.837 175.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -77.77 -158.14 0.08 OUTLIER 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 122.998 2.465 . . . . 0.0 113.012 -178.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -87.01 109.63 19.52 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -55.79 -37.91 69.23 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -176.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -104.47 109.78 21.79 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 120.742 0.305 . . . . 0.0 110.577 -178.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -74.33 -38.46 63.26 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.101 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -86.06 50.42 1.98 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.78 0.8 . . . . 0.0 110.019 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -103.82 134.52 46.98 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -82.96 156.37 23.5 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.995 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.687 ' OE1' ' HA ' ' A' ' 16' ' ' HIS . 27.1 tt0 -62.19 128.43 36.05 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.095 179.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -87.01 -53.11 5.06 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.579 0.228 . . . . 0.0 111.336 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -63.33 -57.27 10.91 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.169 -178.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.687 ' HA ' ' OE1' ' A' ' 13' ' ' GLU . 13.0 t60 57.09 40.85 28.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.658 178.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.517 HD23 ' N ' ' A' ' 18' ' ' LEU . 8.8 tt -100.75 151.23 21.93 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 107.745 -1.205 . . . . 0.0 107.745 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.517 ' N ' HD23 ' A' ' 17' ' ' LEU . 86.2 mt -42.9 -62.73 0.94 Allowed 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -178.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.585 HD11 ' CD1' ' A' ' 90' ' ' TYR . 35.3 mm -69.54 -29.32 41.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.551 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.679 ' HA ' ' ND2' ' A' ' 23' ' ' ASN . 11.2 mm-40 -65.57 -40.42 92.74 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.083 178.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.87 -48.59 76.08 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 178.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.409 ' O ' HG12 ' A' ' 26' ' ' ILE . . . -53.34 -48.77 68.22 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.539 178.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.679 ' ND2' ' HA ' ' A' ' 20' ' ' GLU . 10.9 p30 -71.98 -26.01 62.08 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 120.002 -0.679 . . . . 0.0 110.785 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -70.76 -51.6 26.12 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.837 178.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.23 -46.59 88.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.202 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.425 HG12 ' HA ' ' A' ' 23' ' ' ASN . 34.4 pt -66.33 -33.09 61.21 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.457 0 C-N-CA 120.416 -0.514 . . . . 0.0 111.756 -178.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -63.05 -44.48 95.74 Favored 'General case' 0 C--O 1.24 0.59 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 176.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -66.99 -46.02 75.85 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.379 178.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.56 -44.3 97.92 Favored Glycine 0 C--O 1.219 -0.829 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.731 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -58.87 -45.99 88.88 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.183 0.516 . . . . 0.0 110.506 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 -64.52 -42.78 95.56 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.381 -178.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.64 -33.43 62.55 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.096 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.465 HD23 HD23 ' A' ' 104' ' ' LEU . 2.3 tm? -64.67 -49.24 71.74 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 178.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 pp -65.88 -31.38 72.29 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.152 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -65.67 -55.61 16.55 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.501 179.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' A' ' 36' ' ' LEU . 3.3 mm? -66.38 -32.43 73.81 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.373 -178.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -64.96 -39.75 93.96 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 120.986 0.422 . . . . 0.0 110.376 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -66.66 -31.46 72.15 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 121.668 0.747 . . . . 0.0 109.389 174.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -70.15 -36.04 74.47 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.94 177.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.442 HD13 ' O ' ' A' ' 40' ' ' LEU . 1.4 tm? -53.25 -45.83 68.93 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 173.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -59.42 -41.2 88.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.238 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -68.6 -45.67 71.33 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.498 0.666 . . . . 0.0 110.02 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.427 HD22 HD12 ' A' ' 55' ' ' ILE . 52.9 tp -57.14 -40.55 77.42 Favored 'General case' 0 C--O 1.213 -0.822 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.886 177.081 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.537 ' O ' ' HE2' ' A' ' 47' ' ' LYS . 5.9 t-20 -61.63 -28.15 69.17 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-O 121.431 0.634 . . . . 0.0 110.418 -179.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -82.76 -45.19 14.69 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.911 177.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -75.68 -33.68 60.4 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.989 -0.55 . . . . 0.0 112.03 -176.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.537 ' HE2' ' O ' ' A' ' 44' ' ' ASN . 72.8 mmtt 57.13 19.57 4.89 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.211 -176.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 41.5 t -68.48 126.71 30.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.896 -176.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.61 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -63.53 -44.81 93.14 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.795 179.142 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -66.93 -36.78 83.0 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 121.057 -0.257 . . . . 0.0 111.087 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 50.8 tp -67.55 -39.45 84.98 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -59.04 -44.74 91.81 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.994 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -63.72 -45.55 89.44 Favored 'General case' 0 N--CA 1.432 -1.343 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.617 -178.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -61.74 -46.88 87.71 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.956 0.408 . . . . 0.0 110.342 178.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.427 HD12 HD22 ' A' ' 43' ' ' LEU . 68.4 mt -60.24 -49.11 85.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.714 -178.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 14.9 tt -68.31 -31.92 53.48 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.971 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -68.57 -44.66 73.95 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.297 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -71.1 -33.61 70.34 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.349 178.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.2 tt -63.17 -47.06 84.25 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 177.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -59.57 -53.53 57.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.785 -1.098 . . . . 0.0 112.469 -178.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 32.7 m -62.22 -39.44 84.03 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -176.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 84.1 t -73.79 -37.5 48.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.724 0.297 . . . . 0.0 110.485 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 46.1 t -62.61 -41.27 98.9 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.177 0.513 . . . . 0.0 109.785 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.29 -50.48 63.54 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.908 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.406 ' HG3' HD12 ' A' ' 66' ' ' ILE . 23.1 ptp -62.72 -39.06 92.87 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.588 -178.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.431 ' O ' ' HB2' ' A' ' 70' ' ' GLN . 1.4 mp -64.44 -43.0 96.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.23 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -69.4 -37.65 77.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.838 0.351 . . . . 0.0 111.513 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.32 -45.91 88.87 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.644 -0.789 . . . . 0.0 111.902 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.39 -37.13 74.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.571 -0.315 . . . . 0.0 110.194 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.47 ' OE1' ' HB2' ' A' ' 97' ' ' SER . 4.0 tt0 -63.09 -47.72 81.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.98 0.419 . . . . 0.0 110.214 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.34 -39.16 97.49 Favored Glycine 0 C--O 1.245 0.838 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.541 -177.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.51 -53.16 38.0 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 114.825 -0.687 . . . . 0.0 109.372 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.516 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 43.9 tp -55.55 -49.62 72.21 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.716 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.476 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 49.6 mt-10 -54.33 -50.22 67.9 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.063 0.458 . . . . 0.0 111.098 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -58.49 -43.4 89.01 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.707 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -70.02 -54.6 12.45 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.854 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 3.6 pp -56.0 -20.25 15.82 Favored 'General case' 0 C--O 1.222 -0.376 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.008 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 28.6 mmtm -67.72 -14.31 62.84 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -71.61 -16.26 62.28 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.101 0.477 . . . . 0.0 110.311 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.3 m -84.48 141.26 30.9 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.924 179.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -157.73 -174.65 4.96 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.16 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 51.48 73.12 0.33 Allowed 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.054 0.846 . . . . 0.0 111.405 -178.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 178.56 105.13 0.02 OUTLIER 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.005 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 68.8 mt -58.22 -31.99 43.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.734 -0.667 . . . . 0.0 112.009 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 59.8 tp -72.66 -50.03 27.71 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 120.892 0.377 . . . . 0.0 110.036 -178.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -59.58 -37.11 77.63 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.472 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -56.95 -51.7 68.13 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.117 0.484 . . . . 0.0 110.168 176.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -59.38 -45.64 90.88 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.476 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -65.08 -47.31 77.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.382 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.585 ' CD1' HD11 ' A' ' 19' ' ' ILE . 4.4 m-30 -54.88 -52.72 61.97 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.041 0.448 . . . . 0.0 111.021 177.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -57.71 -36.95 72.69 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.175 178.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -69.64 -40.98 76.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.677 -179.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.99 -42.25 97.25 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.655 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -61.18 -38.16 85.52 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.841 177.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.461 ' O ' HG13 ' A' ' 99' ' ' ILE . 93.2 m -61.89 -50.54 71.81 Favored 'General case' 0 N--CA 1.436 -1.155 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.423 178.001 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 89.2 mt -71.78 -37.84 70.4 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.712 -176.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.47 ' HB2' ' OE1' ' A' ' 70' ' ' GLN . 16.3 p -61.91 -44.19 97.3 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 121.053 0.454 . . . . 0.0 110.715 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -59.67 -42.49 92.99 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.358 178.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 95' ' ' THR . 82.2 mt -62.26 -45.12 99.49 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 CA-C-O 121.343 0.592 . . . . 0.0 110.243 178.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.417 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 0.8 OUTLIER -58.81 -51.02 71.79 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.454 179.65 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 92.1 mt -59.61 -40.96 89.26 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.57 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -55.86 -52.71 63.11 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 176.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.3 -33.61 72.61 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 112.308 0.485 . . . . 0.0 112.308 -178.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.465 HD23 HD23 ' A' ' 33' ' ' LEU . 91.7 mt -61.51 -55.11 34.67 Favored 'General case' 0 CA--C 1.519 -0.238 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.399 177.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.459 ' O ' ' HB3' ' A' ' 108' ' ' GLU . 25.6 mtpp -68.56 -22.27 64.49 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.678 -178.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -71.38 -43.98 65.83 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 177.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 22.9 m -67.55 -39.38 84.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.185 -0.916 . . . . 0.0 108.573 176.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.459 ' HB3' ' O ' ' A' ' 105' ' ' LYS . 25.3 tt0 -51.47 -50.65 59.4 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.694 173.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.551 ' HA ' ' HD3' ' A' ' 112' ' ' LYS . 41.5 tt0 -54.06 -39.84 66.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.368 177.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.437 ' HB3' HD11 ' A' ' 40' ' ' LEU . 13.7 mptt -68.51 -48.4 64.48 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 13.9 p -62.82 -40.49 88.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.961 -178.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.551 ' HD3' ' HA ' ' A' ' 109' ' ' GLN . 14.5 ptmm? -70.99 -23.08 62.12 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.549 177.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -79.99 -25.77 40.17 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -178.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -73.54 122.8 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 178.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -79.48 123.35 27.47 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.305 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 64.6 p -116.04 178.28 4.37 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.273 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.652 -178.447 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.473 0.703 0 CA-C-O 120.687 0.279 . . . . 0.0 110.367 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -127.84 118.02 22.91 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-O 120.862 0.363 . . . . 0.0 110.964 -178.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -125.18 30.66 5.78 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.311 0.577 . . . . 0.0 109.847 178.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -86.85 139.9 33.04 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.35 -176.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -68.95 -29.09 28.39 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.522 2.148 . . . . 0.0 109.864 173.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.409 ' HE3' ' HB2' ' A' ' 6' ' ' LYS . 39.3 mtmt -106.78 136.63 46.28 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 177.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -62.92 -53.43 54.21 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 120.787 0.327 . . . . 0.0 110.435 -178.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.54 137.85 32.3 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-O 121.063 0.459 . . . . 0.0 110.454 179.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -101.15 18.69 19.17 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-O 121.337 0.589 . . . . 0.0 109.828 176.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -86.66 -30.4 21.77 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.997 -177.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.1 ttt180 -71.18 92.41 0.99 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -124.84 7.37 8.08 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.287 0.565 . . . . 0.0 110.605 -178.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -105.16 147.8 27.58 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.84 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -69.52 83.22 0.41 Allowed 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 121.358 0.599 . . . . 0.0 110.05 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -72.8 -37.14 67.64 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.17 -0.923 . . . . 0.0 112.602 -177.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.403 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 22.0 t60 -85.81 80.25 9.0 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 119.843 -0.743 . . . . 0.0 112.188 -177.113 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.46 HD23 ' HB2' ' A' ' 20' ' ' GLU . 20.2 tp 177.13 98.01 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.187 0.995 . . . . 0.0 108.732 173.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.503 HD13 ' HA ' ' A' ' 77' ' ' LEU . 69.4 mt -49.62 -48.76 48.88 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.194 -0.912 . . . . 0.0 112.688 -176.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.572 HD11 ' CD1' ' A' ' 90' ' ' TYR . 24.1 mm -64.05 -37.08 78.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 C-N-CA 121.071 -0.252 . . . . 0.0 111.305 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.46 ' HB2' HD23 ' A' ' 17' ' ' LEU . 12.1 tp10 -61.2 -46.12 91.76 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.071 0.463 . . . . 0.0 109.807 178.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -62.66 -31.39 72.26 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.356 178.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.79 -39.78 56.3 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.398 0.618 . . . . 0.0 110.187 178.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.408 HD22 ' HA ' ' A' ' 23' ' ' ASN . 9.6 m120 -65.14 -38.11 89.57 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 115.023 -0.989 . . . . 0.0 110.164 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -64.25 -48.34 76.16 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.052 177.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.85 -50.47 73.65 Favored 'General case' 0 CA--C 1.528 0.097 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 179.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 41.4 pt -64.77 -31.29 53.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.339 -178.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -62.98 -51.74 65.69 Favored 'General case' 0 C--O 1.246 0.897 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 176.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -61.69 -46.05 91.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.03 178.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.469 ' O ' ' HG3' ' A' ' 32' ' ' GLN . . . -59.36 -42.17 97.31 Favored Glycine 0 N--CA 1.447 -0.604 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.714 -179.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.515 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 11.4 tp10 -56.88 -55.88 28.77 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 123.263 0.625 . . . . 0.0 111.038 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -62.9 -41.93 99.61 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.035 -176.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.469 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 5.1 pp0? -69.99 -31.46 69.16 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 116.715 -0.22 . . . . 0.0 111.034 -178.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.532 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 1.4 tm? -67.27 -45.12 77.58 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 30' ' ' GLU . 62.0 mt -63.02 -31.44 72.58 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 178.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -64.78 -52.15 58.43 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.562 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.7 mt -61.74 -33.31 73.83 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.528 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.532 ' HG3' ' O ' ' A' ' 33' ' ' LEU . 91.7 mt-30 -58.39 -39.5 79.83 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.042 0.449 . . . . 0.0 110.191 178.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.473 ' HD2' ' O ' ' A' ' 34' ' ' LEU . 35.5 m-70 -67.33 -36.89 82.37 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.743 178.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -66.46 -42.76 87.08 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.148 178.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.422 HD23 HG22 ' A' ' 111' ' ' VAL . 2.8 tm? -50.92 -46.73 60.86 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.487 175.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -58.09 -45.33 87.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.864 178.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -64.73 -42.15 95.43 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 121.33 0.586 . . . . 0.0 110.19 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.409 ' CD2' HG13 ' A' ' 111' ' ' VAL . 49.5 tp -55.58 -37.58 68.27 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.909 178.075 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -59.54 -38.22 80.47 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.701 0.286 . . . . 0.0 111.451 177.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -81.15 -47.78 13.01 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -179.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -77.13 -34.3 56.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.759 0.314 . . . . 0.0 111.352 -175.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.44 ' O ' HG22 ' A' ' 116' ' ' THR . 0.0 OUTLIER 58.81 24.6 12.54 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.214 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.1 t -69.85 123.33 21.19 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.188 -177.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.545 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -60.18 -39.95 88.3 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 121.086 0.469 . . . . 0.0 110.399 176.421 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -63.98 -44.2 93.43 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.199 179.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.465 ' O ' HG13 ' A' ' 55' ' ' ILE . 54.8 tp -63.25 -42.3 99.17 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.181 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -56.87 -49.14 76.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.82 -42.38 99.7 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.72 -178.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.453 ' HA ' ' HE2' ' A' ' 54' ' ' LYS . 6.9 mmpt? -62.99 -44.02 97.19 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.964 0.411 . . . . 0.0 110.123 178.081 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 51' ' ' LEU . 83.8 mt -61.14 -48.94 86.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.595 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 75.1 mt -62.93 -40.65 89.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.454 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -68.32 -41.53 80.7 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -177.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.448 ' HA ' HG12 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -73.86 -34.55 64.54 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.189 -0.605 . . . . 0.0 110.87 178.107 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.44 HD22 ' HB3' ' A' ' 108' ' ' GLU . 5.6 tt -61.93 -44.88 95.86 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 178.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -62.18 -48.39 80.24 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.337 -0.847 . . . . 0.0 112.164 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.448 HG12 ' HA ' ' A' ' 58' ' ' GLU . 11.5 p -62.36 -36.06 72.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 CA-C-O 120.836 0.35 . . . . 0.0 111.372 -176.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.412 HG11 ' CD ' ' A' ' 32' ' ' GLN . 98.8 t -73.24 -38.51 54.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.14 178.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.44 ' SG ' HD23 ' A' ' 59' ' ' LEU . 90.1 m -62.78 -41.27 99.17 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-O 120.842 0.353 . . . . 0.0 110.359 179.069 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.96 -45.06 83.15 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.345 -178.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.436 ' HG3' HD12 ' A' ' 66' ' ' ILE . 21.8 ptp -68.52 -35.1 77.0 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.351 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.436 HD12 ' HG3' ' A' ' 65' ' ' MET . 1.4 mp -69.3 -45.34 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 178.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.487 ' HA ' ' HG2' ' A' ' 70' ' ' GLN . 47.0 mt-10 -66.17 -35.15 79.72 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 121.077 0.465 . . . . 0.0 110.618 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -69.04 -45.87 60.99 Favored Glycine 0 N--CA 1.446 -0.642 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.513 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.1 -42.03 73.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.993 -0.103 . . . . 0.0 110.985 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.487 ' HG2' ' HA ' ' A' ' 67' ' ' GLU . 13.5 pt20 -62.99 -38.91 93.07 Favored 'General case' 0 C--O 1.216 -0.679 0 C-N-CA 120.467 -0.493 . . . . 0.0 109.843 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -64.5 -40.75 97.92 Favored Glycine 0 C--N 1.336 0.531 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.65 -52.35 52.37 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 179.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.595 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 61.2 mt -54.81 -51.35 66.1 Favored 'General case' 0 CA--C 1.504 -0.807 0 CA-C-N 115.149 -0.932 . . . . 0.0 112.031 178.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 70' ' ' GLN . 44.0 mt-10 -53.72 -52.36 60.36 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 123.426 0.454 . . . . 0.0 111.482 -176.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 60.7 mtt85 -59.18 -39.94 84.11 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.123 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -70.83 -55.42 8.56 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 3.8 pp -57.7 -21.13 38.77 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -179.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.428 ' HA ' ' HD3' ' A' ' 78' ' ' LYS . 51.9 mmtt -68.21 -15.37 63.55 Favored 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 179.082 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 21.8 mmt85 -76.1 -19.6 58.41 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.542 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.1 m -78.74 139.22 38.47 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.749 -178.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -55.77 138.41 47.89 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 176.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.451 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 0.7 OUTLIER -74.87 72.88 2.1 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 122.151 0.977 . . . . 0.0 111.834 -179.218 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -73.77 169.02 18.22 Favored 'General case' 0 N--CA 1.432 -1.365 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.339 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 58.4 mt -54.54 -55.35 15.64 Favored 'Isoleucine or valine' 0 C--O 1.242 0.674 0 CA-C-O 120.8 0.334 . . . . 0.0 111.345 -177.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.8 tt -71.83 -43.48 65.48 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 -178.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -54.02 -55.88 23.12 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.211 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -58.74 -46.96 86.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.849 0.357 . . . . 0.0 111.412 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -61.73 -44.31 97.17 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.53 -178.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -68.7 -48.16 64.57 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.714 -178.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.572 ' CD1' HD11 ' A' ' 19' ' ' ILE . 4.2 m-30 -54.13 -53.82 47.98 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.739 178.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -57.58 -35.98 71.09 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.515 178.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -71.5 -46.45 59.69 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.476 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.24 -41.0 99.02 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.206 0.527 . . . . 0.0 109.664 -179.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -63.67 -38.53 91.46 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.933 178.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.584 ' O ' HD13 ' A' ' 99' ' ' ILE . 54.6 m -59.7 -47.49 85.42 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.342 176.13 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.472 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 84.9 mt -67.96 -40.67 83.15 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.568 -178.04 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 60.4 p -59.67 -48.7 80.62 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 120.75 0.309 . . . . 0.0 111.318 -178.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.437 ' O ' ' HG3' ' A' ' 102' ' ' LYS . 99.7 mttt -61.94 -38.16 87.42 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.062 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.584 HD13 ' O ' ' A' ' 95' ' ' THR . 1.6 mp -63.24 -41.59 93.35 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-O 120.828 0.346 . . . . 0.0 110.162 177.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 96' ' ' LEU . 96.6 mt -60.66 -49.52 77.2 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.554 178.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.446 ' O ' ' HD2' ' A' ' 105' ' ' LYS . 4.3 mm? -57.4 -43.11 83.45 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.128 179.145 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 98' ' ' LYS . 49.3 mtmt -59.67 -43.32 94.03 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 121.166 -0.213 . . . . 0.0 110.946 177.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -68.61 -35.74 77.73 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.379 -0.528 . . . . 0.0 110.913 -178.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.471 ' O ' ' HG2' ' A' ' 108' ' ' GLU . 4.2 mm? -63.48 -46.31 86.73 Favored 'General case' 0 C--N 1.345 0.4 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.005 175.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.446 ' HD2' ' O ' ' A' ' 101' ' ' LEU . 0.3 OUTLIER -57.32 -35.48 69.92 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.774 177.038 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 110' ' ' LYS . 33.1 tt0 -70.62 -43.78 68.58 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.766 178.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.502 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.7 OUTLIER -63.7 -53.95 43.16 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 121.053 -0.259 . . . . 0.0 111.422 -178.703 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.634 ' O ' ' HG2' ' A' ' 112' ' ' LYS . 9.3 pt-20 -51.52 -48.64 62.89 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 123.096 0.248 . . . . 0.0 110.93 178.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.406 ' N ' ' HG3' ' A' ' 108' ' ' GLU . 34.1 tt0 -56.21 -44.63 79.69 Favored 'General case' 0 C--O 1.223 -0.331 0 C-N-CA 123.162 0.585 . . . . 0.0 111.336 178.176 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 106' ' ' GLU . 52.9 mtmt -66.42 -40.89 89.81 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-O 121.239 0.543 . . . . 0.0 111.086 178.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 107' ' ' THR . 78.5 t -58.49 -50.55 78.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.357 177.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.634 ' HG2' ' O ' ' A' ' 108' ' ' GLU . 14.3 ptmt -74.61 -13.91 60.71 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.274 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -73.59 -29.37 62.36 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.983 177.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.4 mp -71.06 121.0 20.04 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 176.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -75.76 125.15 28.52 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.003 0.43 . . . . 0.0 110.628 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.457 ' HB ' ' HB3' ' A' ' 49' ' ' LYS . 25.2 p -117.25 -173.73 2.47 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.871 178.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.447 ' OXT' ' HD2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.796 0 CA-C-O 118.612 -0.709 . . . . 0.0 110.338 -178.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.472 0.661 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.478 ' HB3' ' O ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -96.7 154.07 17.5 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 177.805 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.564 ' CD2' ' HG3' ' A' ' 4' ' ' LYS . 28.4 p-80 -71.44 -42.05 68.69 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 178.138 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.564 ' HG3' ' CD2' ' A' ' 3' ' ' HIS . 47.7 mtpt -103.65 156.77 35.11 Favored Pre-proline 0 C--N 1.315 -0.907 0 CA-C-N 115.773 -0.648 . . . . 0.0 109.718 176.061 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.58 52.79 0.96 Allowed 'Trans proline' 0 CA--C 1.541 0.856 0 C-N-CA 122.747 2.298 . . . . 0.0 112.881 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt 61.99 -173.65 0.14 Allowed 'General case' 0 C--O 1.235 0.335 0 C-N-CA 122.95 0.5 . . . . 0.0 111.307 -176.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.473 ' HE3' ' OD1' ' A' ' 23' ' ' ASN . 58.9 tttm -72.25 -59.63 2.64 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.957 0.408 . . . . 0.0 110.629 179.069 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -169.79 -126.73 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -111.9 -7.21 14.18 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -136.35 150.84 49.03 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.179 -176.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.2 tpp180 59.96 59.99 2.27 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.854 0.721 . . . . 0.0 110.639 -178.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -163.86 102.54 0.89 Allowed 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 178.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.449 ' HG3' ' CD2' ' A' ' 14' ' ' PHE . 13.8 pt-20 -118.93 -28.88 5.44 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -174.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.449 ' CD2' ' HG3' ' A' ' 13' ' ' GLU . 93.4 m-85 -117.56 -155.37 0.59 Allowed 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 176.405 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -64.05 -54.19 37.99 Favored 'General case' 0 CA--C 1.501 -0.921 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 174.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.713 ' HA ' ' OE1' ' A' ' 20' ' ' GLU . 2.0 m-70 -177.14 129.35 0.16 Allowed 'General case' 0 CA--C 1.509 -0.619 0 C-N-CA 124.776 1.23 . . . . 0.0 109.782 175.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 98.3 mt -104.14 171.45 7.34 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 176.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.525 ' H ' HD22 ' A' ' 18' ' ' LEU . 2.3 mm? -62.59 -45.48 92.7 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.311 0.577 . . . . 0.0 109.632 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.589 HD11 ' HD1' ' A' ' 90' ' ' TYR . 20.3 mm -67.59 -34.97 71.48 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.563 179.284 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.713 ' OE1' ' HA ' ' A' ' 16' ' ' HIS . 87.0 mt-10 -57.34 -41.97 81.07 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.915 0.388 . . . . 0.0 110.447 177.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -67.2 -52.75 37.36 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.182 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.433 ' O ' HG12 ' A' ' 26' ' ' ILE . . . -56.62 -47.9 78.67 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.525 178.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.473 ' OD1' ' HE3' ' A' ' 7' ' ' LYS . 23.7 t-20 -56.93 -42.29 79.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.563 -179.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -71.21 -40.19 71.28 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.953 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.22 -45.51 80.44 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.433 HG12 ' O ' ' A' ' 22' ' ' ALA . 34.5 pt -66.93 -33.93 66.62 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.157 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.764 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -63.83 -45.67 88.52 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 176.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -66.36 -42.23 88.36 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.691 178.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.466 ' O ' ' HG3' ' A' ' 32' ' ' GLN . . . -60.62 -45.37 96.47 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 116.221 -0.445 . . . . 0.0 112.19 178.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.487 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 45.8 tt0 -57.11 -47.99 79.74 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.09 0.471 . . . . 0.0 110.674 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -66.47 -40.74 89.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.655 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -71.93 -28.14 63.27 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.941 -179.659 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -67.03 -42.91 84.08 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 175.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 30' ' ' GLU . 89.2 mt -65.06 -31.12 72.18 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.412 178.097 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -69.58 -55.24 10.68 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.786 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.457 HD13 ' OE1' ' A' ' 39' ' ' GLN . 3.8 mm? -59.94 -34.92 73.9 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.036 0.446 . . . . 0.0 110.803 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -59.78 -34.39 72.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.982 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -69.34 -43.3 73.93 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.107 177.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.457 ' OE1' HD13 ' A' ' 36' ' ' LEU . 90.9 mt-30 -58.01 -45.0 87.56 Favored 'General case' 0 CA--C 1.522 -0.102 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.854 177.146 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.7 tp -52.36 -49.02 65.19 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.072 176.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -58.14 -38.8 77.27 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 121.299 0.571 . . . . 0.0 110.476 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.43 ' HB3' ' O ' ' A' ' 39' ' ' GLN . 9.1 tp10 -64.15 -44.16 92.98 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.471 179.096 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.8 tp -63.83 -34.03 77.01 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.928 -177.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.448 ' O ' ' HE3' ' A' ' 47' ' ' LYS . 72.9 m-20 -58.89 -33.76 70.88 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.123 0.487 . . . . 0.0 110.89 -178.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -86.26 -44.03 12.47 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.772 -178.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.45 ' HB3' ' OG ' ' A' ' 48' ' ' SER . 78.9 m-20 -78.39 -35.89 46.6 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -175.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.448 ' HE3' ' O ' ' A' ' 44' ' ' ASN . 34.0 mmtp 58.79 19.05 6.56 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.162 -176.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.45 ' OG ' ' HB3' ' A' ' 46' ' ' ASN . 15.8 m -64.91 118.82 9.61 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.651 -177.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.7 pttt -58.17 -47.52 83.12 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.606 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -63.49 -37.1 86.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.959 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.493 ' O ' HG13 ' A' ' 55' ' ' ILE . 55.2 tp -66.08 -43.38 87.52 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 177.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -58.11 -47.25 83.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.914 178.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.457 ' O ' ' HD3' ' A' ' 57' ' ' ARG . 40.6 mt-10 -62.53 -43.8 97.93 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.491 -179.227 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -59.82 -46.47 89.15 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.837 0.351 . . . . 0.0 110.461 177.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' ' 51' ' ' LEU . 82.5 mt -59.31 -53.24 50.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.157 -179.048 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.4 tp -70.38 -34.07 56.6 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.857 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -177.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.457 ' HD3' ' O ' ' A' ' 53' ' ' GLU . 7.2 mpt_? -67.48 -52.58 37.58 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.621 0.248 . . . . 0.0 110.982 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.432 ' O ' HG23 ' A' ' 62' ' ' VAL . 42.3 mt-10 -70.32 -31.77 69.23 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.944 -0.303 . . . . 0.0 111.11 -178.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 65.6 tp -61.58 -44.52 96.86 Favored 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 176.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -60.45 -43.96 96.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.632 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 90.5 t -60.66 -44.37 96.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 CA-C-O 120.985 0.422 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 58' ' ' GLU . 60.4 t -67.19 -38.95 82.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.447 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.475 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 72.8 m -62.8 -41.56 99.34 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.994 0.426 . . . . 0.0 110.187 179.234 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.94 -49.62 69.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.878 -178.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.425 ' HG3' HD12 ' A' ' 66' ' ' ILE . 22.7 ptp -63.73 -34.68 78.42 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.497 -178.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.425 HD12 ' HG3' ' A' ' 65' ' ' MET . 1.4 mp -67.17 -43.72 88.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.038 178.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' ' 63' ' ' CYS . 48.4 mt-10 -65.36 -38.05 88.9 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 120.747 0.308 . . . . 0.0 111.381 -178.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.53 -47.87 60.07 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.705 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.37 -42.12 75.6 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 122.94 -0.153 . . . . 0.0 111.381 -178.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.621 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 13.1 pt20 -63.88 -37.53 87.75 Favored 'General case' 0 C--O 1.22 -0.483 0 C-N-CA 120.426 -0.509 . . . . 0.0 110.455 -179.06 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -70.16 -41.96 68.35 Favored Glycine 0 C--O 1.243 0.659 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.299 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.84 -54.5 25.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.134 -0.533 . . . . 0.0 110.256 -179.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.528 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 25.9 tp -57.34 -41.93 80.96 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.187 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.621 ' HB2' ' O ' ' A' ' 70' ' ' GLN . 0.7 OUTLIER -54.19 -50.51 66.88 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.243 0.544 . . . . 0.0 110.022 179.67 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 75' ' ' ARG . 9.1 tpt180 -56.87 -43.1 80.88 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.754 179.192 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -71.49 -55.7 7.35 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.945 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 3.5 pp -58.38 -19.8 38.83 Favored 'General case' 0 CA--C 1.512 -0.505 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -177.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.422 ' N ' HD12 ' A' ' 77' ' ' LEU . 14.9 mmtp -64.06 -10.45 22.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.788 0.328 . . . . 0.0 111.79 -179.308 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 79' ' ' ARG . 8.2 tpt180 -59.33 -25.59 64.31 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.307 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 27.6 m -74.79 97.72 3.33 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.204 0.526 . . . . 0.0 110.732 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -66.67 -44.04 82.88 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.796 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.2 tt -148.29 136.84 21.51 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.696 -0.402 . . . . 0.0 111.416 -178.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.49 ' HB3' ' HB2' ' A' ' 86' ' ' GLU . 0.9 OUTLIER 172.35 115.62 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.787 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.428 HD12 ' H ' ' A' ' 84' ' ' ILE . 2.6 mp -56.21 -45.36 80.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 O-C-N 123.378 0.424 . . . . 0.0 111.943 -175.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.33 -49.85 38.37 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.32 -176.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.49 ' HB2' ' HB3' ' A' ' 83' ' ' ASN . 25.3 mm-40 -60.82 -41.1 95.07 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.53 -178.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 19.2 tpp85 -58.26 -49.15 78.14 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 120.907 0.384 . . . . 0.0 110.134 178.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -60.1 -40.87 91.14 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.654 179.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -65.02 -51.72 60.02 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.716 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.589 ' HD1' HD11 ' A' ' 19' ' ' ILE . 8.3 m-30 -55.15 -55.25 33.32 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.41 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -60.21 -39.09 85.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.143 -178.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -66.39 -47.3 73.75 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.824 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.74 -43.88 90.35 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.84 0.352 . . . . 0.0 110.793 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -67.27 -32.94 74.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.469 ' O ' HG13 ' A' ' 99' ' ' ILE . 91.4 m -60.1 -49.98 75.5 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 174.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.455 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 79.4 mt -70.38 -35.13 73.33 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.262 -178.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.491 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 41.5 t -56.28 -52.14 65.6 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.511 178.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -63.52 -34.48 77.88 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.175 -179.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 95' ' ' THR . 88.2 mt -65.26 -44.9 94.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 CA-C-O 121.218 0.533 . . . . 0.0 109.88 178.48 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.477 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 98.8 mt -63.44 -42.19 98.68 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.78 179.342 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 97' ' ' SER . 96.3 mt -62.95 -41.71 99.59 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.122 178.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.4 ' HE2' ' HB3' ' A' ' 102' ' ' LYS . 5.6 tmmm? -62.26 -39.75 93.91 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.487 177.317 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -71.31 -34.94 71.06 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.412 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 100' ' ' LEU . 96.3 mt -62.83 -45.89 90.47 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 175.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.507 ' HA ' ' HG2' ' A' ' 108' ' ' GLU . 41.8 mttp -57.5 -31.74 66.32 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.402 177.17 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.536 ' O ' ' HE3' ' A' ' 110' ' ' LYS . 41.8 mm-40 -67.93 -41.57 82.37 Favored 'General case' 0 CA--C 1.511 -0.542 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.3 175.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.493 ' O ' HG23 ' A' ' 111' ' ' VAL . 25.2 m -66.59 -54.57 22.07 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -177.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.507 ' HG2' ' HA ' ' A' ' 105' ' ' LYS . 9.0 pt-20 -54.06 -51.39 64.24 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 111.728 0.269 . . . . 0.0 111.728 179.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.457 ' N ' ' HG3' ' A' ' 108' ' ' GLU . 16.1 mm-40 -61.83 -37.71 85.48 Favored 'General case' 0 C--O 1.226 -0.145 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -179.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.536 ' HE3' ' O ' ' A' ' 106' ' ' GLU . 0.0 OUTLIER -67.74 -42.82 81.23 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.329 0.585 . . . . 0.0 110.511 179.227 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 107' ' ' THR . 69.8 t -61.15 -43.1 95.66 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.171 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.85 178.138 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' A' ' 108' ' ' GLU . 64.8 mttm -66.37 -25.19 66.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.278 177.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -74.81 -25.78 59.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.753 -178.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.5 mp -74.15 121.19 24.78 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 CA-C-O 121.244 0.545 . . . . 0.0 109.779 177.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -76.62 121.09 22.72 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.758 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 30.7 p -116.56 -174.95 2.66 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.605 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 . . . . . 0 C--O 1.246 0.876 0 O-C-N 123.96 0.788 . . . . 0.0 112.155 179.821 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 N--CA 1.48 1.035 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -97.75 -19.16 18.39 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-O 121.142 0.496 . . . . 0.0 110.304 -178.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.7 p80 -159.21 155.94 27.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.214 178.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -115.16 153.11 47.29 Favored Pre-proline 0 C--N 1.315 -0.924 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.272 -177.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.67 115.8 3.28 Favored 'Trans proline' 0 C--O 1.238 0.493 0 C-N-CA 122.705 2.27 . . . . 0.0 111.696 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.3 mmtm -152.78 136.78 16.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.383 178.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -96.98 127.64 43.16 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.056 0.455 . . . . 0.0 110.815 -178.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -70.99 -27.67 63.88 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.637 -178.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -64.41 -28.3 69.59 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 121.115 0.484 . . . . 0.0 111.318 -177.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -88.98 -16.65 31.22 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.48 -176.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.548 ' NH1' ' HA ' ' A' ' 13' ' ' GLU . 2.1 tmm_? -76.81 102.12 6.16 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 121.193 0.521 . . . . 0.0 110.823 -176.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -79.17 147.97 32.47 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 175.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.548 ' HA ' ' NH1' ' A' ' 11' ' ' ARG . 7.2 tp10 -53.95 -57.88 9.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 123.297 0.373 . . . . 0.0 111.485 -177.1 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -143.02 177.25 8.49 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 -178.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -66.29 -33.55 75.98 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.239 0.542 . . . . 0.0 110.195 178.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -133.34 131.64 40.34 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.07 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.565 HD12 ' H ' ' A' ' 20' ' ' GLU . 0.4 OUTLIER -172.71 106.73 0.17 Allowed 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.098 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.409 ' H ' HD12 ' A' ' 18' ' ' LEU . 6.8 mp -55.83 -53.49 56.05 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.491 -175.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.553 HD11 ' CD1' ' A' ' 90' ' ' TYR . 23.6 mm -59.24 -37.23 67.68 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.151 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.12 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.565 ' H ' HD12 ' A' ' 17' ' ' LEU . 4.7 tp10 -57.51 -43.43 84.25 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.005 0.431 . . . . 0.0 110.507 179.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -50.01 74.58 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.901 179.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.66 -37.1 79.38 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.54 0.686 . . . . 0.0 110.739 -178.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -59.84 -42.31 93.3 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.417 -1.265 . . . . 0.0 111.106 -178.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 -77.11 -32.21 56.39 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 119.87 -0.732 . . . . 0.0 112.577 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.35 -44.88 93.55 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 118.541 0.61 . . . . 0.0 111.289 176.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 36.8 pt -67.15 -31.88 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.099 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.241 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -59.25 -44.02 92.4 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 121.473 0.654 . . . . 0.0 109.452 175.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -65.18 -44.0 89.88 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.969 177.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.57 ' O ' ' HG3' ' A' ' 32' ' ' GLN . . . -60.29 -45.89 95.29 Favored Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 116.039 -0.528 . . . . 0.0 113.618 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -64.38 -37.24 86.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.139 0.495 . . . . 0.0 110.883 -178.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -66.23 -48.71 69.66 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.668 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.57 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 1.0 OUTLIER -67.13 -33.85 76.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.134 179.475 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.451 HD11 ' OD1' ' A' ' 103' ' ' ASP . 2.2 tm? -62.47 -52.04 65.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.752 -0.204 . . . . 0.0 110.502 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.464 ' O ' ' HD2' ' A' ' 38' ' ' HIS . 4.6 pp -65.81 -27.62 68.39 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 120.371 -0.532 . . . . 0.0 110.336 -179.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -65.95 -54.4 26.78 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.813 178.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.37 -31.31 72.36 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.557 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 16.2 mm-40 -59.84 -39.2 84.32 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 121.157 0.503 . . . . 0.0 110.541 177.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.464 ' HD2' ' O ' ' A' ' 34' ' ' LEU . 43.2 m-70 -66.02 -34.61 78.48 Favored 'General case' 0 C--O 1.25 1.103 0 CA-C-O 121.518 0.675 . . . . 0.0 110.064 176.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -68.56 -41.95 79.03 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.607 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.3 tp -51.67 -46.31 63.73 Favored 'General case' 0 C--N 1.34 0.183 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.268 175.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -57.51 -42.76 83.42 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.016 0.436 . . . . 0.0 110.4 177.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -65.42 -45.42 83.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.051 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.1 tp -56.26 -40.68 74.6 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.997 178.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -58.92 -40.58 84.99 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.995 0.426 . . . . 0.0 111.302 178.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -81.12 -46.08 15.48 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.794 -176.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.406 ' ND2' ' HB2' ' A' ' 48' ' ' SER . 66.4 t30 -77.26 -30.62 54.46 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.032 0.444 . . . . 0.0 110.604 -177.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.524 ' O ' HG22 ' A' ' 116' ' ' THR . 0.1 OUTLIER 57.27 27.06 13.09 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.271 179.75 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.406 ' HB2' ' ND2' ' A' ' 46' ' ' ASN . 44.3 t -67.65 121.5 16.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.155 -178.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.688 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -62.52 -47.88 82.0 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.874 178.704 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 15.8 pt-20 -63.97 -40.03 95.48 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.879 -179.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.411 ' O ' HG13 ' A' ' 55' ' ' ILE . 42.2 tp -60.53 -43.66 96.9 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 176.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -57.86 -45.54 86.15 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.757 178.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.494 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 42.4 tt0 -62.07 -46.08 90.69 Favored 'General case' 0 N--CA 1.438 -1.059 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.353 -178.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 7.3 mtpm? -65.35 -42.9 92.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.677 0.275 . . . . 0.0 110.359 178.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 51' ' ' LEU . 66.3 mt -60.3 -51.1 76.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.193 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 15.4 tt -66.88 -31.94 55.75 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-O 120.727 0.298 . . . . 0.0 111.354 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' A' ' 53' ' ' GLU . 4.9 tpt85 -68.87 -52.62 27.76 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.093 -178.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -64.94 -33.74 76.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.942 0.401 . . . . 0.0 109.92 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 52.8 tp -60.84 -46.78 89.2 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.927 179.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -64.97 -42.87 94.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.954 -178.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.8 t -62.9 -48.63 87.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 CA-C-O 120.964 0.411 . . . . 0.0 111.357 -178.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 47.3 t -66.35 -33.55 64.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.327 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.769 ' SG ' ' HE2' ' A' ' 105' ' ' LYS . 51.7 t -66.32 -41.32 89.81 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.263 0.554 . . . . 0.0 109.964 177.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.52 -45.05 84.99 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.336 -177.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.408 ' HG3' HD12 ' A' ' 66' ' ' ILE . 21.9 ptp -65.87 -36.43 83.4 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.884 0.373 . . . . 0.0 110.347 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.408 HD12 ' HG3' ' A' ' 65' ' ' MET . 1.3 mp -68.02 -41.72 84.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.877 178.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 63' ' ' CYS . 46.3 mt-10 -66.28 -35.54 80.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.132 0.491 . . . . 0.0 110.441 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -68.0 -47.44 59.89 Favored Glycine 0 N--CA 1.443 -0.888 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.189 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.463 ' O ' ' HG ' ' A' ' 73' ' ' LEU . . . -69.83 -39.31 76.52 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -58.63 -44.71 90.08 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-O 121.219 0.533 . . . . 0.0 109.642 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.19 -41.39 99.66 Favored Glycine 0 C--O 1.25 1.113 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.69 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.77 -57.36 7.22 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-N 114.89 -0.655 . . . . 0.0 111.12 -177.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.666 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 4.4 pp -62.95 -38.81 92.54 Favored 'General case' 0 C--O 1.215 -0.727 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.144 -178.195 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.543 ' N ' HD12 ' A' ' 73' ' ' LEU . 11.7 tp10 -55.44 -54.3 45.49 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.093 0.473 . . . . 0.0 110.722 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -62.49 -34.12 76.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.653 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -75.97 -55.21 5.83 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.783 -179.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.666 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 3.7 pp -57.39 -24.94 58.45 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -178.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.495 ' N ' HD12 ' A' ' 77' ' ' LEU . 14.0 mmtp -69.09 -31.87 70.89 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-O 121.075 0.465 . . . . 0.0 111.63 -178.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.469 ' O ' ' HD3' ' A' ' 79' ' ' ARG . 1.1 tmt_? -72.05 -29.99 64.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.899 -176.176 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.7 p -95.11 -0.99 52.95 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.526 ' HB2' ' CE2' ' A' ' 90' ' ' TYR . 13.7 t70 -90.84 139.01 31.15 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.762 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.2 pp -165.67 -24.84 0.03 OUTLIER 'General case' 0 CA--C 1.511 -0.552 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -177.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.569 ' HB3' ' OE1' ' A' ' 86' ' ' GLU . 26.8 t30 -85.02 155.03 21.73 Favored 'General case' 0 C--N 1.289 -2.042 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -176.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 62.5 mt -60.3 -47.04 93.91 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -174.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 50.8 tp -72.34 -45.94 57.71 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 121.178 0.513 . . . . 0.0 110.198 -176.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.569 ' OE1' ' HB3' ' A' ' 83' ' ' ASN . 29.7 mp0 -58.76 -43.48 90.34 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.897 178.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.51 ' HG2' ' OD2' ' A' ' 81' ' ' ASP . 45.8 mtm180 -58.85 -45.24 90.55 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 121.178 0.513 . . . . 0.0 110.76 178.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -64.8 -38.6 91.54 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.185 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -66.12 -50.19 64.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.875 0.369 . . . . 0.0 110.533 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.553 ' CD1' HD11 ' A' ' 19' ' ' ILE . 4.0 m-30 -55.15 -48.87 73.1 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.629 177.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -57.33 -42.05 81.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.297 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -66.98 -37.01 83.46 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 120.919 0.39 . . . . 0.0 110.632 -179.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.38 -40.86 96.64 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.418 0.627 . . . . 0.0 109.42 177.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -62.0 -39.12 91.14 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.541 176.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.459 ' O ' HG13 ' A' ' 99' ' ' ILE . 89.9 m -57.03 -50.21 73.43 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.604 178.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 87.7 mt -68.05 -39.23 83.07 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.724 -177.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.0 p -63.02 -41.52 99.56 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.027 0.442 . . . . 0.0 111.128 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.58 ' HE2' ' HA ' ' A' ' 98' ' ' LYS . 6.9 mmpt? -59.89 -44.68 94.09 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.995 178.227 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 95' ' ' THR . 84.1 mt -59.73 -44.37 93.59 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.91 178.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.431 HD21 ' HA3' ' A' ' 29' ' ' GLY . 66.6 tp -60.04 -51.98 67.34 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.209 -0.905 . . . . 0.0 112.138 -179.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.95 -38.05 89.64 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.976 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -62.95 -50.46 70.71 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 110.509 -0.182 . . . . 0.0 110.509 177.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.451 ' OD1' HD11 ' A' ' 33' ' ' LEU . 5.3 t70 -62.81 -34.69 77.82 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -63.07 -53.67 50.12 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.766 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.769 ' HE2' ' SG ' ' A' ' 63' ' ' CYS . 5.4 mptp? -60.93 -31.85 71.37 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.948 178.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -64.95 -36.47 84.48 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 177.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 26.8 m -64.69 -47.5 78.14 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.228 177.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -51.11 -49.47 60.69 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 123.779 0.831 . . . . 0.0 110.998 176.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.555 ' O ' ' HG2' ' A' ' 112' ' ' LYS . 30.8 tt0 -59.94 -39.41 85.45 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.168 178.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.41 ' O ' ' HB3' ' A' ' 113' ' ' ASP . 96.0 mttt -71.12 -43.54 67.42 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -177.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 34.6 m -62.41 -40.36 87.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 CA-C-O 120.757 0.313 . . . . 0.0 110.733 178.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.555 ' HG2' ' O ' ' A' ' 109' ' ' GLN . 11.5 ptmm? -76.94 -15.07 59.77 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 120.991 0.424 . . . . 0.0 110.687 177.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.41 ' HB3' ' O ' ' A' ' 110' ' ' LYS . 31.8 t70 -74.32 -30.12 61.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.02 178.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.433 HG22 HG23 ' A' ' 116' ' ' THR . 1.5 mp -66.79 124.19 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-O 120.924 0.393 . . . . 0.0 109.995 177.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -79.51 122.25 26.22 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.306 -0.406 . . . . 0.0 109.911 178.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.532 ' HB ' ' HB3' ' A' ' 49' ' ' LYS . 3.3 p -127.9 -164.35 1.36 Allowed 'General case' 0 C--N 1.309 -1.188 0 O-C-N 122.337 -0.227 . . . . 0.0 110.87 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.449 ' HB2' ' HD2' ' A' ' 49' ' ' LYS . 53.5 mt-30 . . . . . 0 C--O 1.246 0.91 0 CA-C-O 118.435 -0.793 . . . . 0.0 110.399 178.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 120.862 0.363 . . . . 0.0 111.388 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -130.75 116.8 18.49 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-O 121.082 0.468 . . . . 0.0 111.528 -178.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 38.3 p-80 -147.22 77.51 1.45 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.371 0.605 . . . . 0.0 110.673 177.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -107.45 147.53 35.45 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.836 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -75.55 -29.8 7.03 Favored 'Trans proline' 0 CA--C 1.532 0.407 0 C-N-CA 122.753 2.302 . . . . 0.0 111.669 177.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -73.63 88.7 1.7 Allowed 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 121.243 0.544 . . . . 0.0 111.096 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.5 ptmm? -88.9 -33.4 17.32 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.031 177.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -94.69 67.12 3.25 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.075 -176.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -80.73 -43.76 19.75 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.488 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -117.42 46.47 1.71 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.584 0.707 . . . . 0.0 109.509 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 11' ' ' ARG . 36.3 mmt180 -136.64 98.01 3.69 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.217 -179.008 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -87.43 -6.71 58.31 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.647 0.736 . . . . 0.0 109.739 178.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -78.81 85.52 4.79 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.834 -179.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 47.52 73.83 0.18 Allowed 'General case' 0 C--O 1.236 0.376 0 CA-C-N 114.855 -1.066 . . . . 0.0 112.022 -177.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.4 p-10 -72.58 -44.0 62.64 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.263 -178.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -166.14 164.95 17.96 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 178.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.602 HD12 ' H ' ' A' ' 17' ' ' LEU . 8.1 mp -25.48 119.01 0.06 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.477 1.111 . . . . 0.0 113.489 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.1 mt -58.15 -38.15 76.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.258 -178.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.558 HD11 ' CD1' ' A' ' 90' ' ' TYR . 19.9 mm -62.69 -45.3 99.17 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.346 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.68 178.129 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -58.79 -35.88 73.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.132 0.492 . . . . 0.0 110.81 179.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -68.65 -49.84 55.9 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.749 178.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.93 -40.74 89.95 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.572 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -65.45 -35.54 81.22 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.005 -179.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -70.78 -37.92 73.38 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.155 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.78 -47.83 84.11 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.765 177.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 31.5 pt -64.74 -34.68 71.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 C-N-CA 120.749 -0.381 . . . . 0.0 111.109 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -54.64 -52.53 62.0 Favored 'General case' 0 C--O 1.245 0.855 0 CA-C-O 121.253 0.549 . . . . 0.0 109.874 175.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -62.3 -43.24 99.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.489 179.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.48 -44.84 90.28 Favored Glycine 0 C--N 1.337 0.638 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.541 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.426 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 44.3 mt-10 -61.34 -42.76 99.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.026 0.441 . . . . 0.0 110.985 -179.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 39.0 t-80 -66.54 -47.65 72.2 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.339 -178.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.18 -31.83 68.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.384 -178.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.431 ' O ' HD22 ' A' ' 33' ' ' LEU . 1.4 tm? -67.21 -48.84 66.67 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.616 0.246 . . . . 0.0 110.567 178.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 30' ' ' GLU . 78.4 mt -65.19 -31.21 72.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.162 0.506 . . . . 0.0 109.861 -179.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -67.65 -54.62 18.08 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.81 179.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.2 mt -60.52 -30.13 69.55 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.291 -0.413 . . . . 0.0 112.028 -178.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -57.45 -31.77 66.27 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 120.834 0.349 . . . . 0.0 110.842 177.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 36.7 t60 -66.92 -43.72 82.58 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 177.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -57.81 -44.46 86.38 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.946 176.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.463 HD11 ' HB2' ' A' ' 110' ' ' LYS . 8.2 tt -50.23 -49.2 53.65 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 123.181 0.592 . . . . 0.0 110.925 175.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -56.51 -40.9 75.8 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.113 0.482 . . . . 0.0 110.512 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -68.41 -41.74 80.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.361 178.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.0 tp -56.64 -39.4 73.6 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.765 177.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.451 ' OD1' HD11 ' A' ' 114' ' ' ILE . 92.2 m-20 -58.23 -33.92 69.86 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.13 0.49 . . . . 0.0 110.476 177.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -80.05 -45.34 18.5 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.264 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -79.08 -37.05 39.78 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -176.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.418 ' HE2' ' O ' ' A' ' 44' ' ' ASN . 75.7 mmtt 58.55 22.39 9.67 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 -174.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.9 t -67.86 125.42 26.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.333 -0.849 . . . . 0.0 112.3 -176.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.688 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -63.51 -40.74 97.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.424 176.523 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.599 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 61.9 mm-40 -66.24 -45.32 81.04 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.531 179.588 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 51.4 tp -62.95 -41.76 99.61 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -58.02 -43.5 86.75 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.154 177.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.441 ' O ' ' HD3' ' A' ' 57' ' ' ARG . 36.0 tt0 -61.93 -48.21 81.46 Favored 'General case' 0 N--CA 1.434 -1.259 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.332 -179.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.599 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 42.7 mmtm -64.96 -42.54 94.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.84 0.352 . . . . 0.0 110.309 -178.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 71.8 mt -60.11 -51.32 74.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.049 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 15.4 tt -68.45 -32.12 54.12 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 121.002 -0.279 . . . . 0.0 111.427 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.441 ' HD3' ' O ' ' A' ' 53' ' ' GLU . 1.5 mpt_? -66.55 -52.1 49.32 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.828 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -66.38 -35.19 79.7 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 120.839 -0.345 . . . . 0.0 110.483 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 23.9 tp -62.7 -44.42 96.29 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -59.52 -46.28 89.32 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.471 178.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 57' ' ' ARG . 64.4 t -62.11 -48.12 89.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.981 -179.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 87.3 t -64.65 -41.31 91.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.572 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 50.9 t -63.24 -41.59 99.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.917 0.389 . . . . 0.0 110.193 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.74 -50.67 68.19 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.845 -179.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.461 ' HG3' HD12 ' A' ' 66' ' ' ILE . 22.6 ptp -63.46 -37.06 85.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.946 0.403 . . . . 0.0 110.637 -178.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.461 HD12 ' HG3' ' A' ' 65' ' ' MET . 1.4 mp -66.78 -45.13 88.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.33 179.174 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -67.27 -39.24 86.04 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.89 0.376 . . . . 0.0 111.062 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.54 -42.78 97.29 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.921 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.65 -39.0 70.65 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 179.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.14 -47.78 83.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.09 0.471 . . . . 0.0 110.256 -179.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.2 -42.17 91.35 Favored Glycine 0 C--O 1.244 0.72 0 CA-C-N 115.606 -0.725 . . . . 0.0 112.594 -178.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.36 -53.01 49.67 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-O 121.195 0.521 . . . . 0.0 110.192 -178.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.674 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 27.2 tp -56.69 -42.03 78.38 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.488 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.511 ' OE1' HD11 ' A' ' 77' ' ' LEU . 2.2 mm-40 -53.59 -53.07 57.04 Favored 'General case' 0 C--O 1.22 -0.451 0 O-C-N 123.414 0.446 . . . . 0.0 111.454 179.07 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.417 ' C ' ' HD3' ' A' ' 75' ' ' ARG . 4.4 tmt_? -57.83 -41.53 82.45 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 120.58 0.229 . . . . 0.0 110.742 -178.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -72.56 -54.8 8.15 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.633 -178.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.674 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 2.5 pp -59.04 -25.04 63.37 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -177.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.554 ' N ' HD12 ' A' ' 77' ' ' LEU . 59.9 mmtt -64.78 -24.88 67.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.489 0.661 . . . . 0.0 110.537 -178.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 26.8 ttp180 -92.4 -11.83 33.85 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.271 -178.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.4 m -128.53 77.08 1.75 Allowed 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -175.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -154.84 137.07 14.83 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 177.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.577 ' O ' ' HB2' ' A' ' 83' ' ' ASN . 51.1 tp -161.14 110.32 1.61 Allowed 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.075 -0.65 . . . . 0.0 111.919 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.577 ' HB2' ' O ' ' A' ' 82' ' ' LEU . 1.7 t30 121.14 167.99 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.675 1.59 . . . . 0.0 112.348 170.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.483 ' H ' ' ND2' ' A' ' 83' ' ' ASN . 48.8 mt -51.54 -44.9 34.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 114.956 -1.02 . . . . 0.0 113.728 -175.105 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 59.0 tp -71.45 -45.5 62.44 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.668 -177.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -58.45 -46.23 86.96 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.563 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -57.96 -42.88 85.93 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 121.263 0.554 . . . . 0.0 110.617 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -67.67 -44.49 77.7 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.91 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -57.12 -52.9 63.43 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-O 121.187 0.517 . . . . 0.0 109.89 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.58 ' CE2' ' HB2' ' A' ' 77' ' ' LEU . 5.8 m-85 -55.25 -53.94 49.7 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.565 178.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -53.52 -50.96 64.35 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.67 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -65.79 -48.37 71.99 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -177.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.98 -43.29 86.43 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.87 0.367 . . . . 0.0 111.446 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -63.52 -36.63 84.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.175 178.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 59.5 m -60.61 -50.87 71.79 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.991 176.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 87.9 mt -67.43 -40.58 85.51 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.534 -176.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 6.0 p -60.33 -46.36 90.18 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.676 -178.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -60.37 -42.78 96.53 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.755 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 79.5 mt -61.83 -44.38 98.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-O 121.268 0.556 . . . . 0.0 110.298 178.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.503 ' O ' HD23 ' A' ' 104' ' ' LEU . 3.2 tm? -56.61 -51.22 69.52 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.985 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 101' ' ' LEU . 4.1 mm? -60.63 -38.62 85.39 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 111.976 0.362 . . . . 0.0 111.976 -179.161 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -65.35 -33.73 76.66 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 121.084 -0.246 . . . . 0.0 111.035 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -71.48 -38.28 71.22 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.503 HD23 ' O ' ' A' ' 100' ' ' LEU . 4.4 mm? -63.31 -48.74 76.8 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.824 0.345 . . . . 0.0 110.337 178.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.402 ' HA ' ' HD3' ' A' ' 105' ' ' LYS . 57.0 mmtt -61.81 -35.33 77.88 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.686 ' O ' ' HG2' ' A' ' 110' ' ' LYS . 34.7 tt0 -66.02 -38.13 87.64 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 177.407 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 37.6 m -61.23 -48.85 79.59 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.27 178.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -51.38 -47.49 62.85 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.531 175.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.578 ' HA ' ' HE2' ' A' ' 112' ' ' LYS . 63.4 tt0 -59.39 -42.15 91.06 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.341 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.686 ' HG2' ' O ' ' A' ' 106' ' ' GLU . 13.8 mmmm -64.63 -49.17 72.11 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.212 0.529 . . . . 0.0 110.9 -178.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 35.1 m -65.23 -40.81 89.88 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.658 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.576 -176.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.578 ' HE2' ' HA ' ' A' ' 109' ' ' GLN . 50.4 pttt -75.35 -14.95 60.51 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.975 0.417 . . . . 0.0 111.11 178.256 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -78.65 -24.73 45.06 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.552 177.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.451 HD11 ' OD1' ' A' ' 44' ' ' ASN . 1.5 mp -68.29 120.38 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 176.288 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -72.03 124.8 25.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.162 0.506 . . . . 0.0 111.074 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 55.5 p -122.19 -163.74 1.1 Allowed 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.098 179.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.51 ' HB2' ' HD2' ' A' ' 49' ' ' LYS . 49.4 mt-30 . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.451 -0.785 . . . . 0.0 109.606 175.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 . . . . . 0 N--CA 1.474 0.756 0 CA-C-O 120.879 0.371 . . . . 0.0 111.319 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -64.07 -55.5 21.66 Favored 'General case' 0 N--CA 1.453 -0.321 0 O-C-N 122.04 -0.413 . . . . 0.0 109.928 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -94.19 104.46 16.47 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.343 0.592 . . . . 0.0 111.249 178.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -63.67 165.62 11.66 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.882 177.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -49.11 158.59 1.32 Allowed 'Trans proline' 0 C--N 1.367 1.517 0 C-N-CA 122.887 2.391 . . . . 0.0 111.71 177.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -93.89 135.04 35.64 Favored 'General case' 0 C--N 1.311 -1.073 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.212 -173.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 8' ' ' ASP . 20.4 pttm -64.15 -41.12 97.3 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.38 0.609 . . . . 0.0 109.905 177.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.429 ' N ' ' HG3' ' A' ' 7' ' ' LYS . 21.1 m-20 -82.64 141.68 32.32 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.901 -178.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -107.13 34.08 3.66 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.012 0.434 . . . . 0.0 110.738 -177.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -56.46 157.74 4.88 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.682 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -143.96 -159.46 0.99 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.362 -173.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -79.73 25.63 0.34 Allowed 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.154 0.502 . . . . 0.0 111.195 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -97.38 119.2 35.49 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.63 179.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -109.08 76.22 0.99 Allowed 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.424 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.24 -29.4 63.9 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.245 177.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.4 p80 41.76 70.31 0.29 Allowed 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.135 0.974 . . . . 0.0 112.628 -179.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.644 ' HB2' ' OE1' ' A' ' 20' ' ' GLU . 87.5 mt -126.58 -165.11 1.41 Allowed 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.128 178.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.434 HD13 ' HA ' ' A' ' 77' ' ' LEU . 49.0 mt -57.59 -60.56 3.48 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -176.294 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.461 HD11 ' CD1' ' A' ' 90' ' ' TYR . 33.0 mm -67.09 -35.93 75.7 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.633 0 C-N-CA 121.148 -0.221 . . . . 0.0 111.506 -177.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.644 ' OE1' ' HB2' ' A' ' 17' ' ' LEU . 22.2 mp0 -57.24 -44.32 83.74 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 120.836 0.35 . . . . 0.0 110.445 178.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 17' ' ' LEU . 16.3 mm100 -68.31 -40.1 81.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.037 179.181 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.435 ' HB2' ' CD2' ' A' ' 73' ' ' LEU . . . -67.95 -38.22 82.55 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 121.509 0.671 . . . . 0.0 110.435 178.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.473 ' HA ' HG12 ' A' ' 26' ' ' ILE . 16.5 t-20 -66.87 -38.61 86.65 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.444 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -62.72 -43.38 98.95 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.384 177.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.52 -50.2 73.68 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 115.925 -0.58 . . . . 0.0 112.02 178.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.473 HG12 ' HA ' ' A' ' 23' ' ' ASN . 39.1 pt -67.14 -31.37 52.91 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.393 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.213 -179.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -59.1 -55.19 38.22 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-O 121.392 0.615 . . . . 0.0 109.425 175.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -62.94 -39.8 95.7 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.704 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.5 -43.09 99.77 Favored Glycine 0 C--N 1.334 0.463 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.517 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -60.05 -47.76 84.54 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.303 0.573 . . . . 0.0 110.748 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -63.65 -48.19 78.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.172 -177.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -68.37 -33.04 73.56 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.407 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.554 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 1.4 tm? -64.19 -46.92 81.83 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 178.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.0 mt -63.52 -31.5 72.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.156 0.503 . . . . 0.0 109.681 179.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -68.79 -53.18 23.18 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.87 178.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.97 -32.36 72.8 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 116.354 -0.384 . . . . 0.0 112.032 -177.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.554 ' HG3' ' O ' ' A' ' 33' ' ' LEU . 84.3 mt-30 -63.18 -30.09 71.31 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.19 177.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -72.29 -32.82 66.94 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.345 176.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -67.2 -44.96 78.29 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 177.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.493 HD22 HG23 ' A' ' 107' ' ' THR . 54.1 tp -52.91 -47.26 68.1 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.728 175.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -59.14 -41.38 88.12 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.518 0.675 . . . . 0.0 110.216 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -62.74 -44.75 95.41 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.141 178.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -63.54 -35.96 82.21 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 123.145 0.578 . . . . 0.0 111.455 -177.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -60.52 -38.31 83.97 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.127 0.489 . . . . 0.0 110.589 -177.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -89.86 -39.4 13.09 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.653 -179.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -71.64 -37.22 70.87 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -176.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? 53.35 101.64 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.937 0 CA-C-O 122.005 0.907 . . . . 0.0 111.944 -176.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.427 ' HB2' ' HB3' ' A' ' 51' ' ' LEU . 12.6 m -156.11 117.66 3.92 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 114.621 -1.172 . . . . 0.0 111.978 -177.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.675 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -60.61 -42.23 96.38 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 121.006 0.432 . . . . 0.0 110.085 177.895 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.493 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 9.1 pt-20 -64.51 -38.98 92.89 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.132 178.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.427 ' HB3' ' HB2' ' A' ' 48' ' ' SER . 47.2 tp -68.65 -39.52 80.64 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.352 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.584 ' HG3' HG22 ' A' ' 111' ' ' VAL . 50.4 tt0 -59.92 -44.54 94.25 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.378 177.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' A' ' 49' ' ' LYS . 46.2 mt-10 -59.9 -45.11 93.59 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.435 178.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.493 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 45.2 mmtm -60.4 -45.68 92.69 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.003 0.43 . . . . 0.0 110.712 179.317 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 69.6 mt -61.25 -53.52 47.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.453 -178.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.411 HG22 ' O ' ' A' ' 52' ' ' GLN . 12.5 tt -66.05 -35.2 74.47 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 120.981 -0.288 . . . . 0.0 111.471 -178.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -67.46 -47.53 69.84 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 111.558 0.207 . . . . 0.0 111.558 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.441 ' HA ' HG12 ' A' ' 61' ' ' VAL . 28.5 tt0 -71.55 -34.35 69.92 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 120.125 -0.63 . . . . 0.0 111.071 179.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 23.5 tp -62.88 -46.43 87.9 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.314 0.578 . . . . 0.0 109.651 179.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -61.06 -48.21 82.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.806 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.441 HG12 ' HA ' ' A' ' 58' ' ' GLU . 10.0 p -63.42 -35.89 74.11 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.662 0 CA-C-O 120.81 0.338 . . . . 0.0 110.908 -178.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 53.8 t -69.17 -40.64 80.75 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.172 0 CA-C-N 116.353 -0.385 . . . . 0.0 109.969 176.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 45.3 t -62.84 -39.42 94.29 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.851 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.48 -46.69 72.22 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.762 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.451 ' HG3' HD12 ' A' ' 66' ' ' ILE . 23.5 ptp -67.32 -35.13 78.8 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.587 -178.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.451 HD12 ' HG3' ' A' ' 65' ' ' MET . 1.5 mp -67.75 -43.35 86.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.546 177.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -69.51 -38.02 77.41 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -179.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.51 -46.9 88.96 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.78 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.62 -38.41 86.88 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.676 0.274 . . . . 0.0 110.441 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.647 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 15.8 mt-30 -62.48 -44.86 95.37 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.755 179.043 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.04 -43.56 95.6 Favored Glycine 0 C--O 1.238 0.347 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.334 -178.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.25 -56.23 16.05 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 121.199 0.523 . . . . 0.0 110.64 -178.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.518 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 47.3 tp -61.39 -38.76 88.23 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.603 -178.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.647 ' HB2' ' O ' ' A' ' 70' ' ' GLN . 1.5 tm-20 -55.42 -52.3 64.04 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.849 0.357 . . . . 0.0 110.2 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -58.99 -38.7 79.76 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.994 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -69.96 -54.71 12.08 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.332 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 3.7 pp -60.85 -23.65 65.29 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -179.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.423 ' HD3' ' HA ' ' A' ' 78' ' ' LYS . 23.9 mmtp -69.74 -19.58 63.54 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.198 0.523 . . . . 0.0 111.188 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 -79.23 -15.16 58.45 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.116 -177.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.4 m -82.86 139.95 33.16 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.693 179.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -48.51 137.25 11.87 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 122.857 0.463 . . . . 0.0 111.559 179.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.506 HD13 ' H ' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -72.06 73.21 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.975 0.893 . . . . 0.0 112.488 177.71 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -76.53 164.57 25.82 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 114.891 -1.05 . . . . 0.0 110.306 -178.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.8 mp -57.37 -54.76 26.55 Favored 'Isoleucine or valine' 0 C--O 1.242 0.668 0 CA-C-O 120.885 0.374 . . . . 0.0 111.645 -176.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 63.9 tp -70.27 -51.68 28.64 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.593 -178.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -55.71 -47.41 76.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.138 -0.483 . . . . 0.0 112.134 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -61.83 -42.6 99.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.016 0.436 . . . . 0.0 110.75 -178.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -63.48 -45.62 89.9 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.704 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -59.97 -47.46 85.73 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.208 179.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.461 ' CD1' HD11 ' A' ' 19' ' ' ILE . 5.3 m-30 -55.7 -50.08 71.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.473 177.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -57.51 -49.66 75.59 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.711 -179.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -67.03 -40.02 87.13 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.355 -177.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.49 -43.82 96.18 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 121.125 0.488 . . . . 0.0 109.795 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.435 ' O ' ' HG3' ' A' ' 98' ' ' LYS . 9.2 mm-40 -64.56 -34.52 78.44 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.969 177.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.517 ' O ' HG13 ' A' ' 99' ' ' ILE . 88.5 m -63.2 -49.14 75.39 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.48 176.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 89.2 mt -69.43 -38.63 77.93 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.35 -176.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.437 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 7.9 p -61.61 -43.88 98.04 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 120.681 0.277 . . . . 0.0 111.125 -179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 94' ' ' GLN . 61.2 mttp -61.29 -34.52 75.33 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.412 177.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.517 HG13 ' O ' ' A' ' 95' ' ' THR . 84.9 mt -66.81 -48.36 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-O 121.164 0.507 . . . . 0.0 110.048 178.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.484 ' O ' HD23 ' A' ' 104' ' ' LEU . 90.5 mt -58.79 -49.24 78.41 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.951 -179.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 97' ' ' SER . 94.5 mt -56.0 -41.08 74.31 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.871 179.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -68.15 -33.48 74.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.356 178.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -75.59 -37.73 59.63 Favored 'General case' 0 C--O 1.24 0.605 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.22 -179.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.504 HD13 HD23 ' A' ' 33' ' ' LEU . 4.6 mm? -62.03 -50.44 72.01 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.128 0.49 . . . . 0.0 109.686 175.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -58.23 -33.22 69.1 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.479 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.659 ' O ' ' HG2' ' A' ' 110' ' ' LYS . 9.1 mm-40 -67.16 -39.46 86.5 Favored 'General case' 0 CA--C 1.51 -0.586 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 176.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.493 HG23 HD22 ' A' ' 40' ' ' LEU . 38.2 m -63.4 -45.82 89.26 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.62 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.582 ' HG2' ' HD3' ' A' ' 112' ' ' LYS . 19.8 tt0 -51.11 -49.23 61.15 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.023 176.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -60.28 -38.53 83.86 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.16 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.659 ' HG2' ' O ' ' A' ' 106' ' ' GLU . 70.7 mmtt -65.32 -49.06 70.88 Favored 'General case' 0 C--O 1.242 0.703 0 CA-C-O 121.361 0.601 . . . . 0.0 111.607 -177.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.584 HG22 ' HG3' ' A' ' 52' ' ' GLN . 12.1 p -65.55 -38.94 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.483 -178.221 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.582 ' HD3' ' HG2' ' A' ' 108' ' ' GLU . 47.7 mtpt -71.02 -15.63 62.57 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 175.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -83.82 -22.08 31.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.147 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.3 mp -74.83 122.96 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-O 121.419 0.628 . . . . 0.0 110.168 176.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -81.76 124.22 29.44 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.763 176.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.4 p -126.19 175.55 7.7 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.608 -178.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 . . . . . 0 C--O 1.253 1.24 0 O-C-N 123.921 0.763 . . . . 0.0 110.833 -179.614 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 . . . . . 0 N--CA 1.475 0.788 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -95.06 -75.09 0.53 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.919 0.39 . . . . 0.0 111.066 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -111.67 69.88 0.7 Allowed 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.054 -176.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.414 ' HE3' ' HB3' ' A' ' 4' ' ' LYS . 26.5 mmmt -43.69 124.5 3.9 Favored Pre-proline 0 N--CA 1.471 0.583 0 CA-C-O 121.62 0.724 . . . . 0.0 110.984 174.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -61.97 153.13 70.81 Favored 'Trans proline' 0 CA--C 1.518 -0.319 0 C-N-CA 123.973 3.115 . . . . 0.0 114.094 -175.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -143.84 170.43 15.91 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 114.32 -1.309 . . . . 0.0 107.706 175.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.67 154.46 44.05 Favored 'General case' 0 C--N 1.304 -1.38 0 C-N-CA 120.251 -0.58 . . . . 0.0 110.23 178.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -55.76 134.29 51.49 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.911 178.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -81.03 -4.5 55.4 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.218 0.533 . . . . 0.0 110.3 -178.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -82.34 -6.08 59.02 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.853 177.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 66.7 mtp180 -114.97 -179.21 3.56 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.142 -178.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -67.63 108.45 2.9 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.623 -178.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -130.32 18.81 5.36 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.612 177.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 10.8 t80 58.84 33.93 23.36 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 114.715 -1.13 . . . . 0.0 111.768 178.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -73.75 -21.9 60.04 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.022 0.439 . . . . 0.0 109.82 178.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 75.36 43.1 0.21 Allowed 'General case' 0 C--O 1.234 0.28 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.181 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.499 ' HG ' ' H ' ' A' ' 20' ' ' GLU . 9.9 tp -98.94 143.84 28.78 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 114.71 -1.132 . . . . 0.0 109.81 177.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.429 HD12 ' H ' ' A' ' 18' ' ' LEU . 7.2 mp -51.89 -59.35 4.43 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 122.869 0.468 . . . . 0.0 111.717 -179.07 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.466 HD11 ' CD1' ' A' ' 90' ' ' TYR . 21.8 mm -60.77 -34.01 57.41 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.25 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.13 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.499 ' H ' ' HG ' ' A' ' 17' ' ' LEU . 38.2 tt0 -62.27 -49.13 76.92 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.766 -179.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -62.3 -46.08 90.35 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.443 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.45 -41.82 85.99 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 121.021 0.439 . . . . 0.0 110.982 176.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.441 ' HA ' HG12 ' A' ' 26' ' ' ILE . 28.0 t-20 -63.51 -41.59 98.52 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 179.167 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -61.38 -42.67 99.09 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.566 177.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.14 -45.92 86.4 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.752 -0.204 . . . . 0.0 111.533 178.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.441 HG12 ' HA ' ' A' ' 23' ' ' ASN . 33.3 pt -67.62 -33.8 64.19 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.16 0 C-N-CA 120.543 -0.463 . . . . 0.0 111.316 -179.309 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -60.52 -42.41 96.39 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 174.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -67.11 -46.25 74.75 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.143 177.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.427 ' O ' ' HG3' ' A' ' 32' ' ' GLN . . . -60.11 -43.65 98.1 Favored Glycine 0 C--O 1.221 -0.668 0 N-CA-C 111.885 -0.486 . . . . 0.0 111.885 -178.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.503 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 41.8 tt0 -59.06 -45.01 91.88 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.227 0.537 . . . . 0.0 110.387 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -67.05 -43.76 81.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.355 -178.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -69.94 -31.57 69.4 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.894 -0.323 . . . . 0.0 110.32 -179.886 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.476 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 1.8 tm? -65.85 -47.25 75.56 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 177.056 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 30' ' ' GLU . 96.3 mt -63.64 -33.85 76.53 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -68.34 -51.2 47.1 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.662 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.85 -34.33 75.78 Favored 'General case' 0 C--N 1.338 0.084 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.833 -178.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.476 ' HG3' ' O ' ' A' ' 33' ' ' LEU . 89.3 mt-30 -65.58 -26.98 68.1 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.265 0.555 . . . . 0.0 110.534 178.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -72.2 -32.93 67.23 Favored 'General case' 0 C--O 1.245 0.826 0 CA-C-O 121.376 0.608 . . . . 0.0 109.598 175.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -68.6 -40.95 80.23 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 177.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.0 tp -52.15 -45.09 64.9 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.243 173.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -56.84 -42.56 79.89 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.983 0.42 . . . . 0.0 110.455 178.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -66.14 -46.64 76.8 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.333 177.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.5 tp -56.07 -41.22 74.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.369 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -60.45 -32.63 71.56 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.106 0.479 . . . . 0.0 111.097 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -84.45 -45.11 13.01 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.691 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.503 ' HB3' ' OG ' ' A' ' 48' ' ' SER . 94.7 m-20 -77.99 -33.18 51.43 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.298 -0.41 . . . . 0.0 112.091 -177.111 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt 57.04 20.41 5.43 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.29 -175.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.503 ' OG ' ' HB3' ' A' ' 46' ' ' ASN . 13.6 m -65.68 118.79 10.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.391 -177.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.559 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -62.21 -43.46 98.79 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.838 -179.246 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.491 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 10.5 pt-20 -61.84 -43.67 98.38 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 121.202 -0.199 . . . . 0.0 110.772 179.089 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.6 tp -59.51 -41.9 90.97 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 176.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -58.22 -44.58 88.26 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.262 177.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 7.4 mm-40 -59.05 -50.35 74.4 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.948 179.368 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 10.5 mmpt? -60.36 -47.33 86.53 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.416 -179.487 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 68.0 mt -60.04 -51.79 68.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.01 -177.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.485 ' O ' HD13 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -69.83 -35.86 67.0 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 C-N-CA 121.068 -0.253 . . . . 0.0 111.462 -177.517 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.432 ' O ' HG23 ' A' ' 61' ' ' VAL . 6.2 mpt_? -65.99 -52.49 48.96 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -179.391 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.479 ' O ' HG23 ' A' ' 62' ' ' VAL . 31.1 tt0 -66.42 -33.17 75.11 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.32 -179.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 23.1 tp -62.52 -43.63 98.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.01 0.433 . . . . 0.0 110.02 178.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.59 ' HA ' ' SG ' ' A' ' 63' ' ' CYS . 32.0 t70 -62.24 -39.32 92.47 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.162 178.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 57' ' ' ARG . 67.2 t -64.04 -46.42 93.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.083 178.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 58' ' ' GLU . 59.7 t -64.35 -41.84 93.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.577 -178.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.59 ' SG ' ' HA ' ' A' ' 60' ' ' ASP . 11.8 p -70.78 -30.47 66.95 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 119.932 -0.707 . . . . 0.0 110.613 -178.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.57 -47.83 62.31 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.386 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.468 ' HG3' HD12 ' A' ' 66' ' ' ILE . 22.4 ptp -63.07 -35.78 81.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.944 0.402 . . . . 0.0 110.215 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.468 HD12 ' HG3' ' A' ' 65' ' ' MET . 1.5 mp -66.52 -39.27 83.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.641 177.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -66.16 -35.81 81.46 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.138 0.494 . . . . 0.0 110.319 179.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.74 -48.32 62.34 Favored Glycine 0 N--CA 1.443 -0.855 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.977 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.457 ' O ' ' HG ' ' A' ' 73' ' ' LEU . . . -67.06 -39.36 86.88 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.738 -0.231 . . . . 0.0 110.391 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.51 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 0.3 OUTLIER -57.96 -41.67 83.37 Favored 'General case' 0 C--O 1.215 -0.738 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 179.376 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.52 -42.5 93.58 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.55 -0.75 . . . . 0.0 112.505 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.71 -59.75 3.3 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 120.804 0.335 . . . . 0.0 111.402 -177.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 69' ' ' ALA . 4.5 pp -59.66 -34.55 72.98 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.703 -178.073 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.51 ' HB2' ' O ' ' A' ' 70' ' ' GLN . 0.2 OUTLIER -60.37 -53.05 62.23 Favored 'General case' 0 C--O 1.22 -0.451 0 O-C-N 123.312 0.382 . . . . 0.0 110.279 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -58.76 -36.36 74.25 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.169 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -68.98 -55.24 11.49 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.095 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.661 ' HB2' ' CE2' ' A' ' 90' ' ' TYR . 4.4 pp -61.0 -21.64 63.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.128 0.49 . . . . 0.0 112.014 -179.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 64.9 mmtt -74.81 -9.81 58.9 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.322 -179.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -50.98 -59.96 3.59 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.77 -176.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 17.6 m -159.16 72.95 0.57 Allowed 'General case' 0 C--O 1.239 0.511 0 CA-C-O 120.746 0.308 . . . . 0.0 111.351 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -76.91 53.92 0.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.929 -0.482 . . . . 0.0 112.117 177.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.438 ' O ' ' HB2' ' A' ' 83' ' ' ASN . 1.2 tm? -85.55 92.15 8.45 Favored 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 178.232 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.463 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 20.3 t-20 171.15 126.69 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.604 -176.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 58.5 mt -58.46 -40.71 79.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -177.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -71.64 -48.39 48.14 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -177.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.413 ' HB2' ' HB3' ' A' ' 83' ' ' ASN . 43.5 mt-10 -57.0 -44.56 82.87 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.911 179.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 83' ' ' ASN . 48.8 mtm105 -61.49 -40.97 96.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.114 0.483 . . . . 0.0 111.115 -179.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -62.88 -44.18 96.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.38 178.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -65.97 -47.34 74.88 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.032 178.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.661 ' CE2' ' HB2' ' A' ' 77' ' ' LEU . 4.0 m-30 -54.75 -54.34 43.32 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.061 0.458 . . . . 0.0 110.839 177.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -58.1 -46.85 84.84 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.529 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -63.77 -47.75 79.71 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 121.096 -0.242 . . . . 0.0 111.45 -178.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.06 -46.4 82.49 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 120.603 0.24 . . . . 0.0 110.963 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.445 ' O ' ' HG3' ' A' ' 98' ' ' LYS . 28.5 mm-40 -64.68 -36.08 83.1 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.899 178.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.524 ' O ' HD13 ' A' ' 99' ' ' ILE . 86.0 m -59.03 -44.92 91.81 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.065 0.46 . . . . 0.0 109.76 177.067 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 79.3 mt -70.74 -37.29 73.46 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.897 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.479 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 50.1 m -59.5 -51.44 69.85 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.282 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 94' ' ' GLN . 52.8 mtmt -60.88 -42.79 98.62 Favored 'General case' 0 C--N 1.34 0.173 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.92 -178.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.524 HD13 ' O ' ' A' ' 95' ' ' THR . 1.6 mp -61.36 -43.14 96.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.746 179.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.407 ' O ' HD23 ' A' ' 104' ' ' LEU . 79.1 mt -65.15 -45.67 84.04 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.967 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.519 ' O ' ' HG2' ' A' ' 105' ' ' LYS . 86.5 mt -58.01 -40.6 81.2 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.364 179.049 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -60.57 -48.11 83.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.172 177.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.15 -30.7 71.24 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.935 -0.306 . . . . 0.0 111.266 -177.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.407 HD23 ' O ' ' A' ' 100' ' ' LEU . 3.8 mm? -62.46 -51.24 68.27 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.103 0.478 . . . . 0.0 110.018 175.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.519 ' HG2' ' O ' ' A' ' 101' ' ' LEU . 1.1 mmmp? -61.62 -30.48 70.72 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.902 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -68.13 -41.09 82.19 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.608 0.718 . . . . 0.0 109.235 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.411 ' O ' HG23 ' A' ' 111' ' ' VAL . 48.9 m -62.9 -52.81 61.62 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.963 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.512 ' HG3' ' N ' ' A' ' 109' ' ' GLN . 5.0 pt-20 -54.11 -39.71 66.66 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 121.176 -0.21 . . . . 0.0 111.377 178.297 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.531 ' HA ' ' CD ' ' A' ' 112' ' ' LYS . 78.3 mt-30 -57.56 -40.38 78.81 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.932 178.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -68.9 -42.05 77.43 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.155 0.502 . . . . 0.0 110.919 178.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 107' ' ' THR . 82.5 t -59.22 -50.01 81.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.199 178.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.531 ' CD ' ' HA ' ' A' ' 109' ' ' GLN . 10.3 ptmt -72.31 -14.85 61.85 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.827 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -76.93 -28.73 55.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.346 177.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.441 HG22 HG23 ' A' ' 116' ' ' THR . 1.5 mp -72.23 119.85 19.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.866 0.841 . . . . 0.0 110.735 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.468 ' O ' ' HG2' ' A' ' 115' ' ' GLN . 15.4 pm0 -75.08 119.91 19.88 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 114.547 -1.206 . . . . 0.0 109.117 176.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.441 HG23 HG22 ' A' ' 114' ' ' ILE . 57.7 p -112.07 176.19 5.12 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 120.547 -0.461 . . . . 0.0 112.005 -179.266 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 10.3 tm0? . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.627 -0.702 . . . . 0.0 110.18 -177.546 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 . . . . . 0 N--CA 1.47 0.545 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -59.65 127.95 34.53 Favored 'General case' 0 CA--C 1.515 -0.381 0 O-C-N 123.226 0.329 . . . . 0.0 110.745 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -88.56 67.98 8.62 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 121.054 0.454 . . . . 0.0 111.586 -179.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 44.4 mttp -70.72 134.64 86.04 Favored Pre-proline 0 C--N 1.318 -0.79 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.939 177.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -61.78 93.13 0.12 Allowed 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.821 2.348 . . . . 0.0 113.056 -178.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.09 102.37 0.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.746 177.308 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.559 ' HG3' ' H ' ' A' ' 8' ' ' ASP . 20.7 tptm -91.73 -177.05 4.65 Favored 'General case' 0 N--CA 1.434 -1.26 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 177.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.559 ' H ' ' HG3' ' A' ' 7' ' ' LYS . 3.7 m-20 -57.55 154.03 11.98 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.84 0.352 . . . . 0.0 110.749 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -76.92 -15.43 59.67 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 120.904 0.383 . . . . 0.0 110.303 178.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -102.55 88.04 3.15 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 177.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -134.82 131.04 36.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.781 -178.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 63.09 21.92 13.14 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 123.571 0.544 . . . . 0.0 111.112 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -97.56 4.63 50.26 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.36 0.6 . . . . 0.0 109.822 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -54.37 150.09 9.27 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.301 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -50.27 -53.93 24.91 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.454 -176.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 57.97 87.24 0.07 Allowed 'General case' 0 N--CA 1.472 0.641 0 O-C-N 123.52 0.513 . . . . 0.0 110.515 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.537 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 1.8 pt? -156.66 90.23 1.15 Allowed 'General case' 0 N--CA 1.442 -0.852 0 CA-C-O 121.664 0.745 . . . . 0.0 109.944 -177.15 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.504 HD23 ' HA ' ' A' ' 77' ' ' LEU . 8.9 mp -62.99 -79.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.509 -0.768 . . . . 0.0 112.64 -175.329 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.445 HD11 ' CD1' ' A' ' 90' ' ' TYR . 22.0 mm -63.15 -31.34 52.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.534 -178.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.537 ' HB2' ' HB2' ' A' ' 17' ' ' LEU . 5.4 mm-40 -56.55 -47.5 79.32 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.489 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -69.25 -41.0 77.51 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.507 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.98 -47.39 74.67 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.174 176.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -61.44 -37.16 82.51 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.614 178.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 41.2 t-80 -71.69 -39.07 70.46 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.458 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.27 -45.51 84.22 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.6 pt -64.12 -33.81 64.77 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.145 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.456 179.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -62.11 -45.6 92.76 Favored 'General case' 0 C--O 1.244 0.798 0 CA-C-O 121.317 0.58 . . . . 0.0 109.528 175.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -65.61 -47.47 75.53 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.258 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -60.48 -43.73 98.47 Favored Glycine 0 C--O 1.222 -0.61 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.349 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.503 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 33.9 tt0 -57.54 -48.14 80.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.644 -0.278 . . . . 0.0 110.789 -179.46 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -67.42 -40.55 85.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.853 -177.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.47 -33.29 69.19 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 120.629 -0.429 . . . . 0.0 110.645 -179.264 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.589 HD23 HD23 ' A' ' 104' ' ' LEU . 1.9 tm? -67.04 -45.6 76.95 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 177.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 30' ' ' GLU . 97.3 mt -64.85 -34.64 78.86 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.937 179.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -68.62 -50.57 50.4 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.813 178.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.41 HD13 ' O ' ' A' ' 36' ' ' LEU . 1.7 tm? -62.33 -35.77 80.1 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.255 -178.282 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.403 ' O ' ' HB3' ' A' ' 40' ' ' LEU . 32.5 tt0 -61.95 -33.43 74.27 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.055 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -68.47 -42.91 78.04 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.867 176.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.406 ' O ' ' HB3' ' A' ' 42' ' ' GLU . 84.4 mm-40 -59.03 -42.1 89.39 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.586 176.165 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.432 HD22 HG23 ' A' ' 107' ' ' THR . 35.2 tp -52.05 -45.1 64.56 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.655 174.341 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -60.01 -39.19 84.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.273 0.558 . . . . 0.0 110.309 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.406 ' HB3' ' O ' ' A' ' 39' ' ' GLN . 14.5 tp10 -64.25 -41.25 97.05 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.197 179.078 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 34.6 tp -66.61 -32.07 73.17 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 120.745 0.307 . . . . 0.0 110.994 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.51 ' O ' ' HE3' ' A' ' 47' ' ' LYS . 12.3 m-80 -60.86 -37.09 80.92 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-O 121.083 0.468 . . . . 0.0 110.782 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -90.26 -40.36 12.2 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.958 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -77.94 -34.67 51.04 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -177.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.51 ' HE3' ' O ' ' A' ' 44' ' ' ASN . 31.9 mmtp 55.56 15.21 1.42 Allowed 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -178.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.0 t -64.23 122.46 16.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.566 0.222 . . . . 0.0 111.478 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.68 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -62.48 -40.67 97.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.22 178.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -60.6 -45.69 93.05 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 177.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.412 ' O ' HG13 ' A' ' 55' ' ' ILE . 50.9 tp -61.15 -40.27 93.21 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 177.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.613 ' OE1' HG22 ' A' ' 111' ' ' VAL . 4.6 tp60 -54.47 -52.7 61.05 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.126 176.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 20.3 mt-10 -58.58 -45.52 88.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.952 -178.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -63.54 -44.51 93.98 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.809 0.338 . . . . 0.0 111.542 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 51' ' ' LEU . 71.6 mt -63.18 -51.37 72.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.733 -178.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 16.3 tt -67.78 -35.45 72.54 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.587 -178.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.463 ' HB2' ' O ' ' A' ' 53' ' ' GLU . 3.9 mpt_? -66.09 -47.93 72.61 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.432 0.158 . . . . 0.0 111.271 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.49 -34.48 75.98 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.694 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 51.2 tp -63.46 -45.35 91.23 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.232 0.539 . . . . 0.0 109.912 178.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -61.81 -49.14 77.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.496 -0.775 . . . . 0.0 112.247 -178.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.5 p -62.27 -37.49 78.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 CA-C-O 120.782 0.325 . . . . 0.0 111.479 -178.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.9 t -72.11 -37.01 58.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.913 0.387 . . . . 0.0 110.005 178.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 46.8 t -64.83 -39.13 93.08 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.02 -48.1 69.4 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.75 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.427 ' HG3' HD12 ' A' ' 66' ' ' ILE . 21.1 ptp -63.04 -37.59 87.81 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.384 -179.261 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.427 HD12 ' HG3' ' A' ' 65' ' ' MET . 1.4 mp -65.04 -42.39 94.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.743 178.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -66.07 -39.73 90.3 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-O 120.906 0.384 . . . . 0.0 110.995 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.91 -46.56 89.02 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.187 -179.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.36 -39.78 85.72 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -62.94 -46.21 88.83 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.866 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.05 -42.09 96.86 Favored Glycine 0 C--O 1.241 0.579 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.141 -177.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.02 -55.17 18.03 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.191 -0.504 . . . . 0.0 110.66 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.477 ' HG ' HD23 ' A' ' 77' ' ' LEU . 34.3 tp -58.27 -41.94 85.44 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.988 -179.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -54.14 -52.23 61.76 Favored 'General case' 0 C--O 1.223 -0.328 0 O-C-N 123.422 0.451 . . . . 0.0 111.06 178.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -58.58 -41.1 84.97 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.618 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -69.41 -55.34 10.6 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.641 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.504 ' HA ' HD23 ' A' ' 18' ' ' LEU . 4.2 pp -59.58 -24.24 63.6 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 120.67 0.272 . . . . 0.0 111.662 -179.106 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.414 ' N ' HD12 ' A' ' 77' ' ' LEU . 14.7 mmtp -70.56 -15.51 62.78 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-O 121.16 0.505 . . . . 0.0 111.083 -177.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.446 ' HE ' ' HA ' ' A' ' 79' ' ' ARG . 2.9 tpm_? -83.36 -24.76 31.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.656 178.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.638 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 5.3 m -94.11 -9.38 36.75 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 178.258 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -48.75 90.88 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 113.819 -1.537 . . . . 0.0 111.24 176.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.681 ' O ' ' HB2' ' A' ' 86' ' ' GLU . 4.3 pp -162.62 157.35 21.84 Favored 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 107.664 -1.235 . . . . 0.0 107.664 178.041 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 79.43 146.85 0.09 Allowed 'General case' 0 C--N 1.32 -0.702 0 O-C-N 123.669 0.606 . . . . 0.0 111.565 179.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.5 mm -58.51 -39.49 75.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.294 -0.866 . . . . 0.0 113.074 -176.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -76.19 -50.75 13.68 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.416 -176.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.681 ' HB2' ' O ' ' A' ' 82' ' ' LEU . 22.4 mm-40 -56.77 -47.42 80.17 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.956 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.484 ' C ' ' HD3' ' A' ' 87' ' ' ARG . 0.9 OUTLIER -61.05 -43.57 98.69 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.091 0.472 . . . . 0.0 110.349 -178.194 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -64.41 -43.5 94.2 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.751 179.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -60.5 -49.38 77.79 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.953 -179.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.445 ' CD1' HD11 ' A' ' 19' ' ' ILE . 6.8 m-30 -54.91 -47.79 73.89 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.923 178.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -58.56 -41.19 85.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.795 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -68.41 -51.2 46.53 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.981 -177.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.49 -39.54 84.11 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.027 0.441 . . . . 0.0 110.608 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.727 ' O ' ' HG2' ' A' ' 98' ' ' LYS . 36.2 tt0 -62.25 -40.85 97.56 Favored 'General case' 0 C--O 1.217 -0.625 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.555 177.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.538 ' O ' HG13 ' A' ' 99' ' ' ILE . 98.1 m -60.79 -45.45 94.36 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.222 179.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 89.7 mt -70.33 -41.1 73.68 Favored 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.076 -177.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 10.5 p -61.07 -39.75 91.07 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 121.108 0.48 . . . . 0.0 111.057 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.727 ' HG2' ' O ' ' A' ' 94' ' ' GLN . 74.2 mmtt -63.33 -35.96 82.1 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.5 178.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.538 HG13 ' O ' ' A' ' 95' ' ' THR . 80.8 mt -63.29 -43.53 98.7 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-O 121.099 0.476 . . . . 0.0 110.003 177.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.516 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 94.0 mt -63.64 -45.39 90.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.966 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.16 -45.04 92.04 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.964 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm -62.76 -43.73 98.03 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.155 178.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -67.23 -33.36 75.19 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.628 -179.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.589 HD23 HD23 ' A' ' 33' ' ' LEU . 97.4 mt -61.04 -50.69 72.29 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 120.957 0.408 . . . . 0.0 109.974 176.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -63.48 -30.42 71.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.8 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -70.69 -39.81 73.28 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 177.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.432 HG23 HD22 ' A' ' 40' ' ' LEU . 57.0 m -68.11 -48.46 65.39 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.007 178.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.401 ' O ' HG12 ' A' ' 111' ' ' VAL . 27.9 tt0 -51.17 -48.02 62.0 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.197 0.522 . . . . 0.0 110.483 175.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -58.11 -41.91 84.61 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.252 178.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.64 -49.42 59.34 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-O 121.661 0.743 . . . . 0.0 111.115 -178.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.613 HG22 ' OE1' ' A' ' 52' ' ' GLN . 9.6 p -61.39 -43.41 96.64 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.643 -177.248 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.472 ' HA ' HE22 ' A' ' 52' ' ' GLN . 15.0 pttp -71.39 -18.6 62.35 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-O 120.761 0.315 . . . . 0.0 110.645 177.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -73.88 -22.62 59.66 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.06 178.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.491 HG22 HG23 ' A' ' 116' ' ' THR . 1.6 mp -73.12 121.87 24.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-O 121.371 0.605 . . . . 0.0 109.705 178.244 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -76.71 119.79 21.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.197 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.491 HG23 HG22 ' A' ' 114' ' ' ILE . 38.4 p -124.77 153.73 41.99 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.522 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.55 ' HB2' ' HD2' ' A' ' 49' ' ' LYS . 38.9 mt-30 . . . . . 0 C--O 1.241 0.623 0 CA-C-O 118.492 -0.766 . . . . 0.0 110.893 176.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 120.978 0.418 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -70.73 -35.9 72.92 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.36 -176.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -89.65 87.21 6.93 Favored 'General case' 0 C--N 1.315 -0.904 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.7 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -58.31 162.18 6.4 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.428 175.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -60.04 86.27 0.07 OUTLIER 'Trans proline' 0 CA--C 1.533 0.43 0 C-N-CA 122.781 2.32 . . . . 0.0 113.275 -178.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -56.98 119.65 6.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.945 177.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.563 ' HG2' ' H ' ' A' ' 8' ' ' ASP . 1.7 ttmp? -87.16 -165.09 1.2 Allowed 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.563 ' H ' ' HG2' ' A' ' 7' ' ' LYS . 25.6 t70 -68.67 166.37 17.42 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.595 0.235 . . . . 0.0 110.488 178.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -58.25 -39.35 78.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.037 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 55.1 t80 56.47 75.36 0.35 Allowed 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.697 -178.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.8 mmt180 -76.58 140.45 41.07 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.57 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -65.99 128.07 34.59 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 177.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.49 ' CD ' ' H ' ' A' ' 13' ' ' GLU . 1.6 pm0 -58.78 -45.33 90.06 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -177.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 42.8 t80 43.64 73.15 0.15 Allowed 'General case' 0 N--CA 1.469 0.479 0 O-C-N 124.008 0.817 . . . . 0.0 111.847 178.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -72.92 -20.36 61.09 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.055 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 71.9 t60 70.34 49.41 0.45 Allowed 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.811 177.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.554 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 4.5 mm? -99.83 173.82 6.5 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 175.138 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.3 mt -64.25 -73.9 0.11 Allowed 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 120.975 0.416 . . . . 0.0 111.41 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.482 HD11 ' CD1' ' A' ' 90' ' ' TYR . 39.7 mm -63.04 -25.21 38.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.705 -179.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.582 ' HA ' ' ND2' ' A' ' 23' ' ' ASN . 5.3 tp10 -62.23 -46.39 89.07 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.311 0.577 . . . . 0.0 110.427 178.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.445 ' HG3' ' O ' ' A' ' 17' ' ' LEU . 46.5 mt-30 -72.02 -25.95 62.02 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.519 179.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.61 -47.94 24.39 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.983 -178.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.582 ' ND2' ' HA ' ' A' ' 20' ' ' GLU . 6.9 p30 -66.68 -30.52 70.79 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.492 -178.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -71.0 -41.78 70.48 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.564 178.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.98 -47.59 79.8 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.409 HG12 ' HA ' ' A' ' 23' ' ' ASN . 33.9 pt -64.97 -31.99 56.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.177 -179.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -62.37 -46.25 89.5 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-O 121.202 0.525 . . . . 0.0 109.597 176.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -63.85 -39.63 94.67 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.007 177.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.95 -43.72 97.84 Favored Glycine 0 C--N 1.339 0.734 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.996 178.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -56.1 -46.01 79.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.445 0.641 . . . . 0.0 110.119 178.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 53.9 m170 -67.33 -47.36 70.73 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.826 -177.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.4 HE21 ' HB2' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -70.63 -26.43 63.48 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.457 -178.093 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.448 HD23 HD23 ' A' ' 104' ' ' LEU . 1.6 tm? -70.7 -50.19 39.04 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 178.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 pp -66.51 -25.52 66.73 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.464 0.65 . . . . 0.0 110.011 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 92.8 t80 -68.96 -56.98 6.15 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 114.959 -1.018 . . . . 0.0 110.351 178.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.8 mt -63.07 -30.93 71.98 Favored 'General case' 0 CA--C 1.522 -0.098 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.971 -178.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.434 ' HG3' ' O ' ' A' ' 33' ' ' LEU . 95.1 mt-30 -57.42 -38.26 74.08 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.084 0.469 . . . . 0.0 109.822 177.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 65.4 t-80 -64.96 -37.54 87.97 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.552 177.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -72.96 -40.54 65.26 Favored 'General case' 0 N--CA 1.441 -0.881 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.685 -178.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.0 tp -53.1 -43.48 66.87 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.462 173.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.582 ' HA ' ' ND2' ' A' ' 44' ' ' ASN . 19.6 t70 -58.06 -42.8 86.23 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.311 0.577 . . . . 0.0 110.53 177.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -67.3 -47.46 70.52 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.8 178.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.552 HD11 ' HA ' ' A' ' 52' ' ' GLN . 7.7 tt -55.5 -50.65 69.38 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.997 0.919 . . . . 0.0 112.213 -179.207 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.582 ' ND2' ' HA ' ' A' ' 41' ' ' ASP . 11.8 p30 -62.83 -29.54 70.81 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-O 121.236 0.541 . . . . 0.0 111.752 -176.619 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -84.91 -42.11 15.31 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.86 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -75.94 -29.53 58.35 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 115.901 -0.59 . . . . 0.0 112.181 -177.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.475 ' HE3' ' O ' ' A' ' 44' ' ' ASN . 33.5 mmtp 55.32 15.62 1.43 Allowed 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 114.433 1.271 . . . . 0.0 114.433 179.035 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 66.2 m -69.03 123.52 21.25 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.593 ' O ' ' HB3' ' A' ' 52' ' ' GLN . 16.8 pttp -61.37 -46.21 91.16 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.5 0.72 . . . . 0.0 112.123 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.442 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 3.7 mt-10 -63.46 -42.12 98.63 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 120.483 0.182 . . . . 0.0 111.102 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 44.4 tp -60.84 -40.86 94.45 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 176.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.593 ' HB3' ' O ' ' A' ' 49' ' ' LYS . 6.8 tp60 -54.25 -50.7 66.6 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.614 177.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -59.43 -44.21 92.95 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.04 -178.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 43.6 mmtm -68.84 -44.54 73.19 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -178.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.5 mp -57.67 -49.61 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 CA-C-O 120.636 0.255 . . . . 0.0 111.137 -179.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 16.8 tt -66.95 -30.71 50.5 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.528 0 CA-C-O 121.013 0.435 . . . . 0.0 110.662 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.49 ' HD2' ' HA ' ' A' ' 57' ' ' ARG . 18.2 tpt85 -66.94 -52.65 40.38 Favored 'General case' 0 N--CA 1.426 -1.668 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.623 -178.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.408 ' O ' HG23 ' A' ' 62' ' ' VAL . 35.4 mt-10 -67.41 -32.08 72.72 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.421 -0.512 . . . . 0.0 111.105 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 46.2 tp -63.45 -44.6 94.03 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 121.027 0.441 . . . . 0.0 109.996 178.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.517 ' HA ' ' SG ' ' A' ' 63' ' ' CYS . 28.3 t70 -59.79 -43.46 94.41 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.278 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 66.4 t -62.59 -48.08 89.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.926 0.394 . . . . 0.0 111.477 178.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 58' ' ' GLU . 93.7 t -65.41 -42.5 93.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.918 -178.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.517 ' SG ' ' HA ' ' A' ' 60' ' ' ASP . 24.6 p -66.16 -32.41 73.83 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 119.985 -0.686 . . . . 0.0 110.554 -178.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.0 -51.75 55.52 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.371 177.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.462 ' HG3' HD12 ' A' ' 66' ' ' ILE . 22.9 ptp -63.12 -37.92 89.12 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.916 -178.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.48 ' O ' ' HB2' ' A' ' 70' ' ' GLN . 1.4 mp -65.25 -46.09 91.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.355 179.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -69.37 -35.76 76.15 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -178.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.61 -48.23 69.82 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.275 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.01 -37.91 78.96 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.48 ' HB2' ' O ' ' A' ' 66' ' ' ILE . 5.7 tt0 -60.18 -44.59 94.94 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-O 121.366 0.603 . . . . 0.0 109.727 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -68.94 -42.64 77.27 Favored Glycine 0 C--O 1.241 0.569 0 CA-C-N 115.052 -0.976 . . . . 0.0 112.86 -178.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.58 -54.35 29.08 Favored 'General case' 0 C--O 1.244 0.788 0 CA-C-O 121.112 0.482 . . . . 0.0 110.82 -177.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.496 ' HG ' HD23 ' A' ' 77' ' ' LEU . 35.0 tp -60.1 -40.22 88.9 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.298 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.565 ' OE2' HD11 ' A' ' 77' ' ' LEU . 1.6 mm-40 -54.48 -52.38 62.08 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.979 0.419 . . . . 0.0 110.939 179.245 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -57.4 -41.71 80.82 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.743 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -70.33 -56.18 7.35 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.761 -178.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.565 HD11 ' OE2' ' A' ' 74' ' ' GLU . 3.9 pp -60.09 -22.92 63.36 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -178.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.488 ' N ' HD12 ' A' ' 77' ' ' LEU . 30.5 mmtm -69.24 -11.38 60.75 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -178.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 73.2 ttt-85 -56.32 -49.05 75.45 Favored 'General case' 0 N--CA 1.46 0.068 0 CA-C-O 120.766 0.317 . . . . 0.0 111.115 -178.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 22.8 m -120.54 109.91 15.83 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -136.16 22.73 3.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.897 0.38 . . . . 0.0 110.373 -178.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.8 tp -79.58 -22.47 43.7 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-O 121.704 0.764 . . . . 0.0 111.527 -177.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.522 ' HB3' ' HG2' ' A' ' 86' ' ' GLU . 2.5 t30 -76.51 132.24 39.45 Favored 'General case' 0 C--N 1.277 -2.576 0 CA-C-N 114.86 -1.064 . . . . 0.0 111.048 -176.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 63.5 mt -56.34 -44.39 79.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -175.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.32 -44.07 84.43 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 -178.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.522 ' HG2' ' HB3' ' A' ' 83' ' ' ASN . 23.7 mm-40 -60.46 -40.65 91.94 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.587 -179.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 83' ' ' ASN . 33.6 mtp180 -57.67 -51.89 67.66 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-O 121.516 0.675 . . . . 0.0 110.245 177.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -60.14 -43.07 95.99 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 114.615 -1.175 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.73 -50.05 68.43 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.234 -178.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.482 ' CD1' HD11 ' A' ' 19' ' ' ILE . 10.2 m-30 -55.58 -49.64 72.2 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.856 177.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.56 -49.46 72.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.331 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -68.14 -40.56 82.41 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -177.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.83 -46.69 86.77 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 120.746 0.308 . . . . 0.0 110.549 -178.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.414 ' HA ' ' OG ' ' A' ' 97' ' ' SER . 6.0 tp-100 -65.62 -32.29 73.78 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.183 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.456 ' O ' HG13 ' A' ' 99' ' ' ILE . 86.7 m -61.39 -47.39 86.01 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.655 176.066 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 88.2 mt -68.45 -38.31 81.01 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.751 -0.204 . . . . 0.0 111.528 -178.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.478 ' HB2' ' OE1' ' A' ' 70' ' ' GLN . 11.5 p -61.5 -43.33 99.07 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 120.962 0.411 . . . . 0.0 111.168 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -61.66 -37.39 83.87 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.704 177.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 95' ' ' THR . 89.4 mt -63.83 -47.71 89.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 CA-C-O 121.091 0.472 . . . . 0.0 110.064 178.125 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 97.3 mt -61.3 -46.01 92.08 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.684 -179.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.426 ' O ' ' HD2' ' A' ' 105' ' ' LYS . 4.0 mm? -62.22 -41.16 98.13 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.835 179.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -56.39 -52.16 65.66 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 176.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.56 -37.01 82.27 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -179.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.448 HD23 HD23 ' A' ' 33' ' ' LEU . 97.3 mt -64.96 -50.72 65.27 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 118.202 0.455 . . . . 0.0 109.999 176.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.643 ' O ' ' HG3' ' A' ' 109' ' ' GLN . 1.0 OUTLIER -58.7 -34.38 71.23 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.086 178.178 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.558 ' O ' ' HD3' ' A' ' 110' ' ' LYS . 42.9 tt0 -66.58 -39.39 88.43 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.922 0.392 . . . . 0.0 110.098 177.197 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.483 ' O ' HG23 ' A' ' 111' ' ' VAL . 63.5 m -61.11 -53.92 51.06 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.534 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -55.37 -37.96 68.21 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 111.565 0.209 . . . . 0.0 111.565 178.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.643 ' HG3' ' O ' ' A' ' 105' ' ' LYS . 97.9 mt-30 -56.63 -47.82 78.85 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 120.872 0.368 . . . . 0.0 110.332 176.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.558 ' HD3' ' O ' ' A' ' 106' ' ' GLU . 12.7 mptt -68.01 -41.05 82.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.27 -178.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 107' ' ' THR . 80.9 t -57.47 -53.24 46.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.048 177.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -65.74 -20.37 66.25 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.321 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -71.99 -30.57 65.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.966 179.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.526 HG12 ' HA ' ' A' ' 44' ' ' ASN . 1.7 mp -72.82 119.26 19.31 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 CA-C-O 121.486 0.66 . . . . 0.0 110.642 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -74.89 123.82 25.77 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.627 176.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.478 HG23 HG22 ' A' ' 114' ' ' ILE . 34.0 p -126.01 157.15 38.61 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 178.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.52 ' HB2' ' HD3' ' A' ' 49' ' ' LYS . 14.8 mm100 . . . . . 0 C--N 1.323 -0.566 0 CA-C-O 118.666 -0.683 . . . . 0.0 111.395 177.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 . . . . . 0 N--CA 1.479 1.004 0 CA-C-O 120.736 0.303 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -65.89 -50.69 63.59 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.996 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -114.97 161.37 18.41 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.01 177.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -125.83 155.9 72.11 Favored Pre-proline 0 C--N 1.316 -0.865 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 -178.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -64.02 -103.58 0.0 OUTLIER 'Trans proline' 0 CA--C 1.548 1.176 0 C-N-CA 122.479 2.12 . . . . 0.0 113.423 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -102.51 179.01 4.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.019 -0.425 . . . . 0.0 110.685 177.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -73.14 -30.1 63.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.074 0.464 . . . . 0.0 111.196 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -94.35 -175.09 3.54 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.564 -176.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -101.62 26.49 7.3 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 -179.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 61.81 38.26 14.91 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 121.807 0.813 . . . . 0.0 108.841 -175.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -163.32 131.88 3.85 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-N 114.532 -1.213 . . . . 0.0 108.263 -176.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -101.23 139.54 36.76 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -67.76 -43.32 80.11 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.344 178.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 75.19 -23.94 0.23 Allowed 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 175.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -52.8 -60.7 2.94 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 -177.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 34.3 m80 52.48 37.49 22.99 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 123.404 0.44 . . . . 0.0 111.885 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -98.83 151.68 20.55 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.5 mt -59.73 -46.07 90.26 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.141 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.4 ' HA ' HD13 ' A' ' 19' ' ' ILE . 20.6 mm -68.12 -43.63 84.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.216 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.02 -42.7 76.87 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-O 120.941 0.4 . . . . 0.0 110.989 177.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -63.65 -50.96 67.25 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.418 178.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.74 -38.86 82.89 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.433 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -59.72 -36.34 76.36 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.586 179.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -70.0 -43.6 71.06 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.326 178.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.67 -44.17 87.11 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -178.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 36.8 pt -66.07 -37.13 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.114 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.995 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -62.91 -41.04 99.32 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 176.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -68.64 -47.22 67.15 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.521 ' O ' ' HG3' ' A' ' 32' ' ' GLN . . . -60.74 -42.9 99.6 Favored Glycine 0 C--O 1.224 -0.489 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.541 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.556 ' O ' HD23 ' A' ' 34' ' ' LEU . 28.7 tt0 -60.79 -44.39 96.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.224 0.535 . . . . 0.0 110.263 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -62.31 -44.19 97.08 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.003 -178.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.521 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -70.47 -23.62 62.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.814 179.812 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.49 HD11 ' OD1' ' A' ' 103' ' ' ASP . 2.5 tm? -68.79 -46.39 68.83 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 177.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.556 HD23 ' O ' ' A' ' 30' ' ' GLU . 4.1 mm? -64.93 -28.48 69.56 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.565 0.698 . . . . 0.0 109.469 177.211 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -69.51 -58.74 3.59 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.747 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.7 mt -63.79 -33.45 75.7 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.873 -178.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -58.42 -36.0 72.94 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 120.882 0.372 . . . . 0.0 110.069 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -68.78 -40.76 79.5 Favored 'General case' 0 CA--C 1.518 -0.273 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.353 176.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -58.96 -41.82 88.41 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.742 176.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.1 tp -52.02 -47.61 64.91 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.876 173.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -57.32 -39.45 75.85 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.087 0.47 . . . . 0.0 110.699 178.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -67.31 -44.31 79.51 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.492 -0.777 . . . . 0.0 109.89 177.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 46.5 tp -54.69 -38.03 66.5 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.091 -0.959 . . . . 0.0 111.189 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -57.59 -36.01 71.17 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.232 0.539 . . . . 0.0 111.055 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -82.15 -46.65 13.51 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.157 -178.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -78.22 -36.71 46.82 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -175.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp 62.04 21.94 12.73 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 -174.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.7 t -64.29 116.83 6.42 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.294 -177.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.721 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -60.68 -37.59 82.11 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.415 176.357 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.437 ' CD ' ' HE2' ' A' ' 49' ' ' LYS . 5.2 mp0 -64.82 -45.29 86.81 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.722 178.484 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 49.4 tp -63.06 -40.02 96.46 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 177.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.13 -48.64 79.62 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.974 176.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -56.2 -49.68 73.38 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 123.777 0.831 . . . . 0.0 111.349 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.403 ' HE2' ' HB3' ' A' ' 54' ' ' LYS . 50.4 mtpt -62.41 -46.31 89.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.219 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.526 HG21 HG11 ' A' ' 111' ' ' VAL . 81.4 mt -61.75 -50.21 81.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.724 -178.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 22.7 mm -58.4 -46.16 89.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-O 120.825 0.345 . . . . 0.0 110.866 178.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 57' ' ' ARG . 1.6 mpt_? -67.42 -51.33 53.09 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -176.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.422 ' O ' HG23 ' A' ' 62' ' ' VAL . 44.3 mt-10 -70.01 -34.74 73.68 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 120.222 -0.591 . . . . 0.0 111.934 -178.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 23.5 tp -64.62 -46.31 83.13 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 178.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -60.94 -45.44 94.71 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.869 -179.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.409 HG22 ' HA ' ' A' ' 58' ' ' GLU . 31.2 m -64.52 -37.84 81.08 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.178 -178.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.497 HG11 ' NE2' ' A' ' 32' ' ' GLN . 91.2 t -70.27 -39.06 76.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 177.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.454 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 94.3 m -61.12 -41.96 97.66 Favored 'General case' 0 C--O 1.219 -0.511 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.036 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.62 -49.69 67.78 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.621 -178.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 22.5 ptp -66.63 -34.69 78.44 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.757 -179.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.4 mp -68.42 -43.9 83.75 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.581 177.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 63' ' ' CYS . 51.4 mt-10 -64.54 -34.54 78.47 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 121.226 0.536 . . . . 0.0 109.729 178.361 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.35 -45.86 82.81 Favored Glycine 0 N--CA 1.435 -1.41 0 CA-C-N 115.192 -0.913 . . . . 0.0 112.053 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.556 ' O ' ' HG ' ' A' ' 73' ' ' LEU . . . -72.02 -46.42 57.18 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.929 -0.136 . . . . 0.0 111.192 -179.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.421 HE21 ' HB2' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -60.79 -39.16 87.84 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-O 120.878 0.37 . . . . 0.0 110.159 -177.551 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -68.86 -41.59 82.04 Favored Glycine 0 C--O 1.239 0.424 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.036 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.56 -55.9 15.21 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.968 -0.616 . . . . 0.0 111.133 -178.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.649 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 4.3 pp -63.55 -35.28 79.97 Favored 'General case' 0 C--O 1.206 -1.206 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.571 -178.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.487 ' N ' HD12 ' A' ' 73' ' ' LEU . 9.3 tp10 -56.27 -53.39 57.75 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 121.318 0.58 . . . . 0.0 110.287 178.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 -60.89 -38.93 87.39 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.079 -179.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -73.6 -54.9 7.09 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.393 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.649 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 3.9 pp -58.51 -24.38 60.38 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -178.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.454 ' N ' HD12 ' A' ' 77' ' ' LEU . 12.0 mmtp -70.78 -20.06 62.64 Favored 'General case' 0 N--CA 1.437 -1.121 0 C-N-CA 119.897 -0.721 . . . . 0.0 111.487 -177.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -88.05 -35.23 17.65 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.24 178.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 21.4 p -78.03 -3.36 41.74 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.96 -178.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -66.67 116.2 7.34 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-O 120.77 0.319 . . . . 0.0 111.203 178.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.542 ' O ' ' HB2' ' A' ' 83' ' ' ASN . 0.6 OUTLIER -156.02 72.41 0.77 Allowed 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 175.341 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.542 ' HB2' ' O ' ' A' ' 82' ' ' LEU . 10.6 t-20 167.3 136.66 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.178 -177.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 50.4 mm -58.29 -35.77 55.04 Favored 'Isoleucine or valine' 0 C--O 1.241 0.637 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.554 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 54.8 tp -70.58 -50.19 39.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.284 -178.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.17 -37.86 78.39 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.212 179.244 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 18.8 tpp85 -57.36 -49.75 75.17 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.252 0.549 . . . . 0.0 109.751 177.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -61.49 -44.35 97.23 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.58 179.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -58.79 -52.83 64.02 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.938 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.4 ' CD2' HD13 ' A' ' 77' ' ' LEU . 8.6 m-30 -55.52 -54.25 46.3 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.269 179.112 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.78 -37.94 80.48 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.319 -179.248 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -66.49 -47.18 73.85 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.556 178.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.2 -41.0 87.5 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 120.89 0.376 . . . . 0.0 110.518 178.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.523 ' O ' ' HG2' ' A' ' 98' ' ' LYS . 34.6 tt0 -61.0 -40.79 94.88 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.823 177.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.512 ' HA ' ' HE2' ' A' ' 98' ' ' LYS . 79.9 m -60.7 -50.2 74.44 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.107 178.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.428 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 86.9 mt -68.54 -40.12 80.82 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.27 -176.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.472 ' O ' HD23 ' A' ' 101' ' ' LEU . 16.6 p -60.74 -49.72 76.36 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -177.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' A' ' 94' ' ' GLN . 59.1 pttt -65.64 -30.46 71.17 Favored 'General case' 0 C--N 1.338 0.09 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.215 -178.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 95' ' ' THR . 74.8 mt -64.37 -43.06 97.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-O 121.145 0.498 . . . . 0.0 109.698 175.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 96' ' ' LEU . 94.2 mt -62.17 -44.36 96.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.361 179.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.472 HD23 ' O ' ' A' ' 97' ' ' SER . 4.3 mm? -55.98 -40.29 73.07 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.711 178.131 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 98' ' ' LYS . 51.3 mtmt -67.85 -35.89 79.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.403 179.28 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.49 ' OD1' HD11 ' A' ' 33' ' ' LEU . 4.6 t70 -70.51 -35.49 73.23 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.055 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 11.0 mp -63.95 -43.67 95.13 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 176.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.561 ' HA ' ' HG2' ' A' ' 108' ' ' GLU . 73.3 mmtt -63.24 -30.26 71.44 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.646 178.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -68.06 -40.72 82.73 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 176.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 26.1 m -65.74 -53.91 34.26 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.584 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.561 ' HG2' ' HA ' ' A' ' 105' ' ' LYS . 9.3 pt-20 -56.38 -37.29 69.88 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.343 178.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -57.17 -49.61 75.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.01 0.433 . . . . 0.0 110.737 177.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 35.5 mttp -64.19 -40.86 96.99 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -177.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.526 HG11 HG21 ' A' ' 55' ' ' ILE . 32.5 m -66.11 -34.92 73.44 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 C-N-CA 120.33 -0.548 . . . . 0.0 109.859 179.114 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -72.36 -18.13 61.77 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.727 175.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -76.21 -28.66 57.3 Favored 'General case' 0 CA--C 1.506 -0.714 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.717 177.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.7 mp -76.4 112.07 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.133 0.492 . . . . 0.0 110.083 176.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -69.01 126.41 29.72 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.655 176.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 36.8 p -116.47 175.72 5.43 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.341 -178.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 . . . . . 0 C--O 1.253 1.289 0 O-C-N 124.173 0.921 . . . . 0.0 111.603 179.791 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 . . . . . 0 N--CA 1.483 1.224 0 CA-C-O 120.821 0.343 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 21.8 mp0 -63.15 141.31 58.81 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.124 -178.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -106.98 104.37 14.02 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 177.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.429 ' HD2' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -73.96 144.92 83.1 Favored Pre-proline 0 C--N 1.317 -0.823 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.7 -177.605 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -76.43 81.23 2.54 Favored 'Trans proline' 0 N--CA 1.452 -0.953 0 C-N-CA 122.514 2.143 . . . . 0.0 110.863 175.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.525 ' HG3' ' HD3' ' A' ' 7' ' ' LYS . 2.1 tppp? -100.35 169.42 9.12 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 -176.243 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.607 ' HD3' ' H ' ' A' ' 7' ' ' LYS . 0.2 OUTLIER -79.34 80.74 5.68 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 121.326 0.584 . . . . 0.0 111.539 -179.239 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -166.01 174.23 9.63 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.29 0.567 . . . . 0.0 112.144 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -68.19 -12.65 61.32 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -175.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -75.09 140.76 43.68 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.092 -0.643 . . . . 0.0 110.432 -178.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -154.22 161.69 41.66 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.914 -0.772 . . . . 0.0 108.914 -177.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -84.91 155.85 21.49 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.888 -179.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -131.44 -81.64 0.52 Allowed 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.708 -178.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -85.77 23.95 1.33 Allowed 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.944 0.402 . . . . 0.0 111.665 -176.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -72.3 -20.73 61.45 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.876 178.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.443 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 46.6 m-70 -93.4 -179.83 5.17 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 177.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.484 HD23 ' HB2' ' A' ' 20' ' ' GLU . 19.1 tp 177.19 109.63 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 178.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.659 HD13 ' HA ' ' A' ' 77' ' ' LEU . 16.1 mt -55.78 -55.71 29.09 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.926 -177.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.553 HD11 ' CD1' ' A' ' 90' ' ' TYR . 14.7 mm -57.91 -35.3 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.347 179.036 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.484 ' HB2' HD23 ' A' ' 17' ' ' LEU . 16.1 tp10 -59.12 -47.4 85.4 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.758 -179.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -72.8 -25.76 61.27 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 121.038 0.447 . . . . 0.0 111.292 -178.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.34 -45.08 41.73 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 121.497 0.665 . . . . 0.0 109.278 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -64.49 -29.85 70.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.453 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -74.66 -45.34 45.32 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.539 178.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.73 -45.69 92.86 Favored 'General case' 0 CA--C 1.523 -0.091 0 N-CA-C 111.622 0.23 . . . . 0.0 111.622 179.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.5 pt -66.5 -32.37 57.74 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.173 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.572 179.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -61.72 -46.42 89.75 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 175.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -63.46 -44.99 92.9 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.014 178.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.62 -44.18 97.07 Favored Glycine 0 C--O 1.221 -0.666 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.357 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.456 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 36.0 tt0 -60.14 -44.86 94.62 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.302 0.572 . . . . 0.0 110.565 -179.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -65.79 -49.99 66.32 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.114 -178.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -29.71 69.66 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.037 -179.216 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.718 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 2.0 tm? -68.43 -50.09 55.25 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 177.517 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 30' ' ' GLU . 98.7 mt -64.31 -35.95 82.54 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.955 0.407 . . . . 0.0 110.502 -177.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -66.3 -49.4 67.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.523 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.4 ' O ' HD23 ' A' ' 36' ' ' LEU . 3.4 tt -62.96 -31.12 72.16 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.822 -179.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.718 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 14.2 mm-40 -58.16 -33.14 68.88 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.054 0.455 . . . . 0.0 110.266 177.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -71.81 -31.76 66.89 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.226 179.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.438 ' O ' ' HB3' ' A' ' 42' ' ' GLU . 28.1 mm-40 -72.28 -41.36 66.76 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.132 0.491 . . . . 0.0 110.285 178.068 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -52.01 -46.29 64.89 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.549 174.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -58.57 -41.27 85.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.085 178.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.438 ' HB3' ' O ' ' A' ' 39' ' ' GLN . 4.7 tp10 -61.45 -43.39 98.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.898 179.301 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.421 ' CD2' HG23 ' A' ' 111' ' ' VAL . 48.5 tp -64.73 -31.61 72.92 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 120.769 0.318 . . . . 0.0 111.021 -177.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -60.26 -38.21 82.8 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -88.14 -40.65 13.58 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.607 -178.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.459 ' OD1' ' HB2' ' A' ' 48' ' ' SER . 4.7 t-20 -74.66 -36.36 62.83 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -176.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.443 ' O ' HG22 ' A' ' 116' ' ' THR . 0.1 OUTLIER 55.0 16.59 1.55 Allowed 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -177.308 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.459 ' HB2' ' OD1' ' A' ' 46' ' ' ASN . 31.2 t -67.63 128.21 35.62 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 179.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.653 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -64.27 -41.55 96.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.924 176.115 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.512 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 42.2 mt-10 -62.38 -42.94 99.8 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.56 177.185 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 38.8 tp -62.04 -39.5 92.54 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 177.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.549 ' HB3' ' O ' ' A' ' 49' ' ' LYS . 2.9 tp-100 -53.76 -50.75 65.35 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.229 175.055 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.527 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 14.6 mm-40 -59.28 -50.35 74.33 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.177 -179.096 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.512 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 32.4 mmtp -62.25 -43.95 97.67 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.659 0.266 . . . . 0.0 110.844 -178.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 63.4 mt -61.88 -50.67 79.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.533 -179.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 15.0 tt -69.12 -33.86 60.64 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.364 -178.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.527 ' HB2' ' O ' ' A' ' 53' ' ' GLU . 0.6 OUTLIER -67.91 -48.78 65.02 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.006 -179.672 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -68.22 -32.67 73.05 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.456 178.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 48.6 tp -61.58 -47.61 84.7 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 177.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -64.0 -49.57 71.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.432 -0.803 . . . . 0.0 112.611 -177.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 34.5 m -61.84 -39.04 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.692 -177.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 98.0 t -72.35 -37.01 56.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 178.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 47.8 t -63.15 -43.95 96.89 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.263 178.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.53 -49.26 67.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.604 -177.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 21.2 ptp -61.34 -35.86 78.58 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.401 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.3 mp -68.94 -40.85 81.55 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.79 178.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -64.57 -40.38 95.46 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 120.888 0.375 . . . . 0.0 110.494 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.02 -48.19 61.43 Favored Glycine 0 N--CA 1.444 -0.822 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.62 -179.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.16 -39.5 82.59 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.588 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 27.0 tt0 -60.72 -42.76 97.91 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-O 121.135 0.493 . . . . 0.0 109.717 179.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.8 -41.13 93.78 Favored Glycine 0 C--O 1.241 0.54 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.983 -178.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.65 -56.7 9.46 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.13 0.491 . . . . 0.0 110.309 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.552 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 57.0 tp -56.32 -43.64 79.18 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.397 -179.461 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.588 ' HB2' ' O ' ' A' ' 70' ' ' GLN . 1.8 tm-20 -54.16 -51.4 64.46 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.228 0.537 . . . . 0.0 110.49 179.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -59.65 -41.95 91.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.002 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -70.5 -54.4 12.37 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -178.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.659 ' HA ' HD13 ' A' ' 18' ' ' LEU . 3.6 pp -56.83 -22.63 37.98 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.458 ' N ' HD12 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -66.63 -9.65 37.91 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -178.395 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 15.7 mmm-85 -60.2 -34.34 73.5 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.842 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.8 t -138.02 107.03 5.99 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.014 0.435 . . . . 0.0 111.303 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -136.83 11.35 3.13 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.566 ' O ' ' HB2' ' A' ' 83' ' ' ASN . 1.0 OUTLIER -91.78 108.52 19.97 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -178.198 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.566 ' HB2' ' O ' ' A' ' 82' ' ' LEU . 20.6 t-20 157.24 145.27 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.713 0 O-C-N 124.267 0.979 . . . . 0.0 108.701 -176.176 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 61.3 mt -60.42 -44.71 96.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -179.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.7 tt -72.93 -45.03 60.36 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 -178.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.467 ' HB2' ' HB3' ' A' ' 83' ' ' ASN . 45.0 mt-10 -59.98 -40.57 89.58 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.287 179.007 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.4 tpp180 -54.15 -52.51 60.91 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 120.999 0.428 . . . . 0.0 110.286 176.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -60.77 -50.29 74.06 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.867 -178.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.54 -53.98 50.94 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -177.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.553 ' CD1' HD11 ' A' ' 19' ' ' ILE . 4.6 m-85 -55.33 -51.48 66.62 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.956 0.407 . . . . 0.0 111.396 179.125 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -55.28 -50.72 68.8 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.904 179.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.75 -44.49 89.93 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.168 -176.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.59 -43.02 98.17 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-O 121.092 0.473 . . . . 0.0 110.769 -178.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -66.79 -35.71 80.7 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.835 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.428 ' O ' HG13 ' A' ' 99' ' ' ILE . 90.1 m -56.84 -44.1 81.78 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.224 176.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 86.0 mt -69.2 -34.52 75.02 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.023 -179.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.424 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 37.2 m -57.17 -51.38 69.56 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.629 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -62.51 -37.16 84.96 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.679 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 95' ' ' THR . 81.0 mt -65.63 -46.49 89.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.939 0.399 . . . . 0.0 110.456 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 95.5 mt -61.47 -45.61 93.53 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.108 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 97' ' ' SER . 97.1 mt -63.56 -40.33 96.71 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.707 179.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.426 ' C ' ' HD2' ' A' ' 102' ' ' LYS . 5.4 tmmm? -65.47 -43.87 88.93 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.469 179.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -69.31 -34.32 74.48 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 -178.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 29.3 tp -63.39 -45.98 88.54 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.138 0.494 . . . . 0.0 109.862 177.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -60.64 -29.43 69.26 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.443 176.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.591 ' O ' ' HG2' ' A' ' 110' ' ' LYS . 0.7 OUTLIER -66.62 -36.67 83.14 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 176.243 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 10.0 m -65.46 -47.08 77.33 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 177.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -51.2 -47.42 62.25 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.388 0.613 . . . . 0.0 109.941 175.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.552 ' HA ' ' HE2' ' A' ' 112' ' ' LYS . 21.0 tt0 -61.04 -42.4 98.4 Favored 'General case' 0 N--CA 1.437 -1.108 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.744 178.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.591 ' HG2' ' O ' ' A' ' 106' ' ' GLU . 11.6 mmpt? -65.09 -48.06 75.03 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.864 0.364 . . . . 0.0 111.616 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.421 HG23 ' CD2' ' A' ' 43' ' ' LEU . 9.7 p -63.24 -43.04 98.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 -178.187 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.552 ' HE2' ' HA ' ' A' ' 109' ' ' GLN . 43.0 pttt -74.05 -15.29 61.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.921 0.391 . . . . 0.0 110.948 178.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -78.55 -27.38 45.84 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.976 177.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.5 mp -73.15 121.0 22.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 CA-C-O 121.414 0.626 . . . . 0.0 110.84 178.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -77.1 118.91 20.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.389 176.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.443 HG22 ' O ' ' A' ' 47' ' ' LYS . 3.0 p -122.38 -165.99 1.36 Allowed 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 178.299 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.521 ' HB3' ' HD2' ' A' ' 49' ' ' LYS . 19.5 tp60 . . . . . 0 C--O 1.247 0.948 0 CA-C-O 118.605 -0.712 . . . . 0.0 109.801 178.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 . . . . . 0 N--CA 1.472 0.653 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -87.59 139.87 30.09 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 178.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -75.63 72.12 2.57 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.561 0.696 . . . . 0.0 110.779 179.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -121.53 139.42 29.79 Favored Pre-proline 0 C--N 1.315 -0.894 0 CA-C-N 115.041 -0.981 . . . . 0.0 112.023 -178.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -79.63 38.66 0.75 Allowed 'Trans proline' 0 CA--C 1.533 0.463 0 C-N-CA 123.479 2.786 . . . . 0.0 110.608 175.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.4 ttmm -59.66 -58.62 7.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.761 0.315 . . . . 0.0 111.287 -177.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -173.95 166.43 4.32 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -58.85 126.07 26.16 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 178.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -71.99 -25.34 61.81 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.224 0.535 . . . . 0.0 110.243 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -68.62 118.14 11.25 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.038 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 63.5 mtm180 -113.67 100.64 8.63 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.232 -177.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -127.83 114.68 17.54 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.604 178.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -60.15 -53.46 57.43 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 -178.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -162.65 142.85 9.57 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 178.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -53.97 -57.71 9.99 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 120.8 0.334 . . . . 0.0 111.685 -177.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -162.77 156.54 20.44 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.47 ' HB3' ' HG2' ' A' ' 20' ' ' GLU . 2.0 tt 173.64 109.22 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -175.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.483 HD12 ' N ' ' A' ' 19' ' ' ILE . 0.9 OUTLIER -54.32 -35.66 62.92 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 -175.761 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.619 HD11 ' HD1' ' A' ' 90' ' ' TYR . 8.5 mm -69.53 -39.44 78.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 C-N-CA 120.482 -0.487 . . . . 0.0 111.141 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.47 ' HG2' ' HB3' ' A' ' 17' ' ' LEU . 5.6 mm-40 -67.5 -29.41 68.83 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.014 0.435 . . . . 0.0 110.249 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' A' ' 17' ' ' LEU . 28.2 mm-40 -67.81 -39.91 83.89 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.692 177.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.08 -37.73 57.87 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 121.707 0.765 . . . . 0.0 110.101 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -62.56 -35.36 79.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.609 -1.178 . . . . 0.0 109.694 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -69.72 -42.71 73.63 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.049 177.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.98 -45.83 93.21 Favored 'General case' 0 C--O 1.225 -0.202 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 35.0 pt -64.23 -37.82 80.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.999 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -60.84 -42.03 96.97 Favored 'General case' 0 C--O 1.245 0.861 0 CA-C-O 121.471 0.653 . . . . 0.0 109.316 176.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -65.83 -51.23 60.62 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.465 177.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.32 -44.41 89.56 Favored Glycine 0 C--O 1.224 -0.517 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.856 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -59.18 -43.32 92.15 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.183 0.516 . . . . 0.0 110.351 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.431 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 2.0 t60 -69.23 -47.49 64.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.839 -177.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.416 HE21 ' HB2' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -70.72 -28.66 64.9 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.364 -178.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.462 HD23 HD23 ' A' ' 104' ' ' LEU . 1.9 tm? -65.77 -48.57 71.39 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 176.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 31' ' ' HIS . 4.6 pp -67.03 -28.1 67.94 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.531 -0.467 . . . . 0.0 110.511 -179.066 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -67.79 -57.65 5.94 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.594 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -63.31 -31.2 72.29 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.106 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -62.82 -36.98 84.95 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 121.203 0.525 . . . . 0.0 109.76 178.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 48.5 t60 -65.76 -46.63 78.09 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 175.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -55.54 -44.39 76.68 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.516 176.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 31.6 tp -50.94 -48.86 60.72 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 123.413 0.685 . . . . 0.0 111.277 176.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -57.3 -41.56 80.07 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.805 0.336 . . . . 0.0 110.742 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -66.15 -43.3 87.4 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.515 0.674 . . . . 0.0 109.337 178.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.9 tp -56.64 -39.27 73.39 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.944 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.532 ' O ' ' HE3' ' A' ' 47' ' ' LYS . 10.6 m120 -57.59 -36.41 71.7 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.07 0.462 . . . . 0.0 111.013 178.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -82.87 -45.58 14.07 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.546 -178.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.501 ' HB3' ' OG ' ' A' ' 48' ' ' SER . 4.3 m-20 -76.25 -37.01 58.21 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -174.343 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.532 ' HE3' ' O ' ' A' ' 44' ' ' ASN . 31.3 mmtp 56.64 22.7 7.0 Favored 'General case' 0 N--CA 1.489 1.475 0 CA-C-O 121.627 0.727 . . . . 0.0 109.617 -175.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.501 ' OG ' ' HB3' ' A' ' 46' ' ' ASN . 39.7 m -67.36 116.9 8.63 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.401 -177.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.592 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 0.2 OUTLIER -59.38 -44.44 92.77 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.914 -178.864 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -64.52 -34.46 78.28 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.03 178.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.438 ' HB3' ' HB2' ' A' ' 48' ' ' SER . 53.6 tp -67.07 -43.44 82.64 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 178.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -57.53 -46.65 83.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.86 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.592 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 17.2 mm-40 -60.16 -45.78 91.93 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.195 -177.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.2 mtmm -62.58 -43.7 98.15 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.895 0.378 . . . . 0.0 110.535 178.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 76.7 mt -61.95 -48.76 87.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.939 -178.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 69.0 mt -63.23 -41.79 94.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.28 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -69.12 -42.41 76.11 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -177.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.467 ' HA ' HG12 ' A' ' 61' ' ' VAL . 38.7 tt0 -72.53 -37.67 68.26 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.413 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.5 tp -62.21 -45.2 94.42 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -65.26 -46.73 79.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.994 -178.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.467 HG12 ' HA ' ' A' ' 58' ' ' GLU . 12.1 p -64.02 -37.66 80.38 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.218 -178.317 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 95.6 t -72.69 -37.03 54.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 177.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.485 ' SG ' ' HE3' ' A' ' 105' ' ' LYS . 44.6 t -64.3 -39.24 93.52 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 178.384 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.38 -44.12 79.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.283 -178.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.468 ' HG3' HD12 ' A' ' 66' ' ' ILE . 22.9 ptp -67.7 -36.65 81.04 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.138 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.468 HD12 ' HG3' ' A' ' 65' ' ' MET . 1.5 mp -67.89 -40.34 83.34 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.374 176.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -63.13 -39.07 93.6 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 121.098 0.475 . . . . 0.0 110.021 177.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.33 -44.71 93.08 Favored Glycine 0 N--CA 1.445 -0.764 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.051 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.19 -40.95 86.62 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 115.722 -0.239 . . . . 0.0 110.396 179.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -60.36 -43.63 96.33 Favored 'General case' 0 C--O 1.226 -0.15 0 CA-C-O 121.09 0.472 . . . . 0.0 110.534 179.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -64.26 -45.26 94.0 Favored Glycine 0 C--O 1.248 1.017 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.005 -179.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.82 -55.38 15.11 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.243 -0.478 . . . . 0.0 110.093 -179.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.64 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 36.8 mt -50.97 -54.82 20.99 Favored 'General case' 0 CA--C 1.5 -0.959 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.96 179.539 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.546 ' O ' ' HB2' ' A' ' 78' ' ' LYS . 8.7 mt-10 -53.96 -48.38 70.37 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 123.507 0.504 . . . . 0.0 112.213 -176.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 48.3 ttp180 -58.18 -43.64 87.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.762 0.315 . . . . 0.0 110.539 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -72.44 -56.55 5.24 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.235 -177.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.64 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 4.2 pp -62.25 -27.64 69.14 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -177.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.546 ' HB2' ' O ' ' A' ' 74' ' ' GLU . 0.6 OUTLIER -65.08 -27.5 68.82 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-O 121.124 0.488 . . . . 0.0 110.621 -176.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 -60.53 -29.88 69.4 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.148 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 20.6 m -67.05 135.99 54.53 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.517 -178.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -141.34 173.82 11.13 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.281 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.434 ' O ' ' HB2' ' A' ' 83' ' ' ASN . 0.9 OUTLIER 59.66 74.49 0.44 Allowed 'General case' 0 C--O 1.239 0.507 0 CA-C-N 115.078 -0.964 . . . . 0.0 112.322 179.226 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' ' 82' ' ' LEU . 9.7 t-20 177.5 105.38 0.02 OUTLIER 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.046 174.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 76.4 mt -56.61 -33.88 40.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.883 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -72.4 -50.93 22.81 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 -177.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -58.56 -44.93 89.87 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.582 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -61.85 -39.57 92.34 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 120.379 -0.528 . . . . 0.0 111.31 -179.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -67.05 -42.49 84.71 Favored 'General case' 0 N--CA 1.457 -0.087 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.548 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.429 HD22 HG21 ' A' ' 19' ' ' ILE . 5.5 m-20 -62.96 -42.08 99.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.288 178.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.619 ' HD1' HD11 ' A' ' 19' ' ' ILE . 8.3 m-30 -54.38 -54.25 43.15 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.426 175.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -58.7 -41.11 85.52 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.6 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.8 tm-20 -70.03 -45.23 67.64 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.71 -177.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.79 -47.4 85.3 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -57.67 -37.73 73.91 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.291 178.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.498 ' O ' HD13 ' A' ' 99' ' ' ILE . 94.5 m -56.48 -48.34 77.34 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.35 177.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.472 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 85.1 mt -72.19 -40.46 67.89 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.127 -178.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 49.5 m -53.7 -52.53 59.76 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.209 179.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -60.86 -41.98 96.94 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.414 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.498 HD13 ' O ' ' A' ' 95' ' ' THR . 1.5 mp -59.82 -42.77 90.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-O 120.748 0.309 . . . . 0.0 110.524 178.326 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 96' ' ' LEU . 97.8 mt -63.65 -46.85 83.77 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.183 179.181 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 95.5 mt -58.91 -44.06 91.21 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.365 179.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -57.42 -53.39 58.66 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.945 176.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.87 -36.59 70.27 Favored 'General case' 0 C--O 1.241 0.634 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.462 HD23 HD23 ' A' ' 33' ' ' LEU . 96.2 mt -62.72 -50.77 69.82 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 121.014 0.435 . . . . 0.0 110.149 177.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.485 ' HE3' ' SG ' ' A' ' 63' ' ' CYS . 0.7 OUTLIER -62.74 -31.83 72.85 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.365 179.061 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -62.19 -42.68 99.51 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 176.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 35.6 m -64.24 -48.65 74.99 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.652 178.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.471 ' HG2' ' HD2' ' A' ' 112' ' ' LYS . 25.5 tt0 -51.74 -53.71 36.47 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.397 0.679 . . . . 0.0 111.261 177.347 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -56.21 -40.16 73.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.806 0.336 . . . . 0.0 111.253 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -68.98 -42.66 76.26 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -178.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 108' ' ' GLU . 33.7 m -66.51 -38.02 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 CA-C-O 120.975 0.417 . . . . 0.0 110.118 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.471 ' HD2' ' HG2' ' A' ' 108' ' ' GLU . 4.8 mtpm? -64.7 -35.62 81.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.417 176.372 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.59 -23.14 58.69 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.686 -177.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -74.69 142.52 14.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 CA-C-O 121.302 0.572 . . . . 0.0 111.169 -179.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -68.57 162.01 26.73 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.236 177.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.4 p -153.09 140.92 20.11 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.266 -177.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 . . . . . 0 C--N 1.313 -1.021 0 CA-C-O 118.733 -0.651 . . . . 0.0 111.783 -178.012 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 . . . . . 0 N--CA 1.477 0.876 0 N-CA-C 110.903 -0.036 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 60.54 77.65 0.31 Allowed 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 120.922 0.392 . . . . 0.0 110.884 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 76.3 m-70 -86.05 79.49 9.15 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.248 -178.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -60.24 149.2 76.72 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.52 173.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -78.01 -165.29 0.32 Allowed 'Trans proline' 0 C--O 1.237 0.435 0 C-N-CA 122.654 2.236 . . . . 0.0 111.85 179.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.491 ' HB2' ' NZ ' ' A' ' 6' ' ' LYS . 3.3 ttmp? -81.18 90.56 6.07 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 121.25 0.548 . . . . 0.0 109.78 177.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.55 ' HG2' ' H ' ' A' ' 8' ' ' ASP . 46.4 tttp -160.87 -175.4 4.91 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 -178.101 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.55 ' H ' ' HG2' ' A' ' 7' ' ' LYS . 1.6 m-20 -51.19 135.26 26.26 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 122.825 0.45 . . . . 0.0 110.061 177.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -79.56 -33.54 41.74 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.016 0.436 . . . . 0.0 110.844 -176.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -100.39 -143.93 0.34 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.547 -178.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.71 169.3 9.12 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 178.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -78.44 20.79 0.4 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.938 0.399 . . . . 0.0 111.339 -179.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -83.61 34.28 0.48 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.27 0.557 . . . . 0.0 110.833 -178.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -92.17 68.85 5.18 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.187 -177.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -74.96 -36.07 62.07 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.213 0.53 . . . . 0.0 110.281 177.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 34.6 m-70 -127.3 75.54 1.59 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.681 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.469 ' O ' HD23 ' A' ' 17' ' ' LEU . 8.7 tt -99.22 -29.0 13.08 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 176.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.602 HD21 ' HB ' ' A' ' 80' ' ' THR . 6.4 mp -54.95 -46.58 75.02 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.339 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 32.0 mm -63.99 -37.21 79.2 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.98 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.021 178.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -56.49 -47.77 78.58 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 120.967 0.413 . . . . 0.0 110.753 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -68.04 -36.83 80.55 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.899 -178.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.49 -41.47 55.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.681 0.753 . . . . 0.0 110.237 -178.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.543 ' O ' ' HG3' ' A' ' 27' ' ' GLU . 56.4 t30 -63.51 -39.39 94.3 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.443 -1.253 . . . . 0.0 110.283 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 -72.38 -33.96 67.6 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 120.171 -0.612 . . . . 0.0 110.944 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.99 -43.18 99.51 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 121.158 -0.217 . . . . 0.0 111.25 178.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 31.4 pt -68.23 -31.84 53.26 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.125 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.844 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.543 ' HG3' ' O ' ' A' ' 23' ' ' ASN . 50.8 mt-10 -62.74 -40.57 97.64 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.282 0.563 . . . . 0.0 109.584 174.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -65.96 -44.8 83.91 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.317 178.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.96 -39.82 96.1 Favored Glycine 0 C--O 1.22 -0.764 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.033 177.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -58.42 -45.25 88.82 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.144 0.497 . . . . 0.0 110.625 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -67.23 -43.97 80.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.043 -177.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.83 -28.49 61.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.928 -177.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.443 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 1.6 tm? -65.51 -49.1 70.24 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 176.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.6 mt -65.45 -26.97 68.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.559 0.695 . . . . 0.0 109.76 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -67.18 -58.05 5.58 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.181 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -64.34 -31.22 72.34 Favored 'General case' 0 C--N 1.34 0.162 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.864 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.443 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 19.6 mm-40 -59.9 -37.28 78.98 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 121.227 0.537 . . . . 0.0 110.026 178.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -69.15 -35.03 75.9 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.185 178.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.461 ' HA ' ' OE1' ' A' ' 39' ' ' GLN . 11.0 mm-40 -67.51 -44.29 78.79 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-O 121.196 0.522 . . . . 0.0 109.667 179.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.8 tp -50.98 -45.64 61.06 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.727 176.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -58.81 -46.53 87.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.743 178.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -63.64 -40.81 97.81 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.88 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.0 tp -63.95 -31.9 73.25 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 120.625 0.25 . . . . 0.0 110.604 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -59.15 -31.52 69.04 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.039 178.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -83.58 -47.18 11.56 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.893 177.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -74.83 -37.94 62.15 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 121.166 0.508 . . . . 0.0 110.864 -175.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.444 ' O ' HG22 ' A' ' 116' ' ' THR . 0.1 OUTLIER 59.68 22.01 10.74 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.955 -179.044 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.6 t -71.32 129.61 39.3 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 121.128 0.49 . . . . 0.0 112.172 -176.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.413 ' HG3' ' H ' ' A' ' 50' ' ' GLU . 34.7 pttt -58.22 -47.84 82.24 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.641 175.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.443 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 35.6 mt-10 -60.9 -49.91 75.53 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.973 -178.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 56.1 tp -61.04 -40.84 95.14 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.219 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -58.41 -48.46 80.59 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.648 178.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -64.24 -42.52 96.5 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.952 -178.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 8.4 mtpm? -64.56 -42.98 95.32 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 120.719 0.295 . . . . 0.0 110.404 178.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 71.6 mt -62.77 -53.69 43.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.486 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 16.2 tt -65.92 -32.79 59.7 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -177.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -68.46 -47.81 66.15 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.965 178.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -65.8 -36.18 82.78 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.001 0.429 . . . . 0.0 110.303 178.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 38.4 tp -61.64 -49.73 75.36 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.338 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -64.15 -45.75 87.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.084 -177.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 33.5 m -63.22 -38.1 81.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 C-N-CA 120.659 -0.416 . . . . 0.0 111.639 -178.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.418 ' HA ' ' HG2' ' A' ' 65' ' ' MET . 92.8 t -73.18 -37.87 53.39 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 178.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.433 ' O ' ' HB2' ' A' ' 67' ' ' GLU . 42.4 t -62.87 -38.28 90.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.222 0.534 . . . . 0.0 109.721 179.035 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.96 -49.66 49.52 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.468 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.418 ' HG2' ' HA ' ' A' ' 62' ' ' VAL . 22.7 ptp -62.36 -38.82 91.02 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.478 -178.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.3 mp -66.58 -41.61 88.62 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.527 177.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 63' ' ' CYS . 0.3 OUTLIER -66.93 -39.53 87.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.107 0.479 . . . . 0.0 110.362 -179.176 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.57 -45.42 93.07 Favored Glycine 0 N--CA 1.442 -0.934 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.074 -178.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.88 -41.22 75.06 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.424 -0.388 . . . . 0.0 110.176 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.685 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 0.7 OUTLIER -61.82 -45.14 95.13 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-O 121.137 0.494 . . . . 0.0 110.264 -178.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -68.94 -45.8 62.02 Favored Glycine 0 C--O 1.243 0.678 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.657 -178.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.67 -53.64 38.37 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-O 121.022 0.439 . . . . 0.0 110.946 -177.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.545 ' HG ' HD23 ' A' ' 77' ' ' LEU . 28.6 tp -60.19 -43.84 95.58 Favored 'General case' 0 C--O 1.214 -0.804 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.387 -179.289 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.685 ' HB2' ' O ' ' A' ' 70' ' ' GLN . 0.8 OUTLIER -54.48 -53.89 48.3 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-O 121.746 0.784 . . . . 0.0 110.762 -178.249 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 28.9 ttm-85 -56.67 -42.89 79.8 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.45 -178.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -73.25 -54.69 7.79 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.979 -178.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.545 HD23 ' HG ' ' A' ' 73' ' ' LEU . 3.2 pp -53.2 -21.63 5.45 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -178.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.5 ' N ' HD12 ' A' ' 77' ' ' LEU . 21.6 mmtm -64.38 -45.13 89.04 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-O 121.127 0.489 . . . . 0.0 111.141 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.551 ' HD2' ' N ' ' A' ' 79' ' ' ARG . 4.8 mpt_? -94.79 -12.37 27.22 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.488 -177.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.602 ' HB ' HD21 ' A' ' 18' ' ' LEU . 61.7 m -65.18 -22.72 66.94 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -176.079 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -150.23 -174.17 4.66 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 179.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.503 HD13 ' N ' ' A' ' 83' ' ' ASN . 2.1 tm? -157.26 137.01 12.32 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.503 ' N ' HD13 ' A' ' 82' ' ' LEU . 15.3 t-20 168.68 141.53 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.657 0.598 . . . . 0.0 109.755 -175.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 77.6 mt -57.92 -41.7 80.7 Favored 'Isoleucine or valine' 0 C--O 1.241 0.648 0 CA-C-O 121.014 0.435 . . . . 0.0 110.885 178.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 55.9 tp -66.65 -46.7 74.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.908 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -60.01 -39.39 85.64 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.229 178.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -58.58 -43.67 89.53 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-O 121.447 0.641 . . . . 0.0 109.816 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -70.04 -44.73 68.63 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.906 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -54.9 -51.97 64.36 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.692 178.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 15.0 m-30 -56.42 -45.24 80.79 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.567 179.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -58.19 -43.19 87.44 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.029 178.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -69.4 -36.9 77.2 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.209 0.528 . . . . 0.0 110.068 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.35 -46.22 89.66 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.769 179.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -57.23 -38.76 74.27 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.867 177.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.516 ' O ' HG13 ' A' ' 99' ' ' ILE . 43.6 m -59.03 -52.18 66.87 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.401 -178.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 90.1 mt -69.44 -37.81 77.56 Favored 'General case' 0 CA--C 1.516 -0.342 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.035 -177.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.41 ' HB3' ' HG3' ' A' ' 70' ' ' GLN . 42.6 m -58.14 -50.06 74.83 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.179 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -63.14 -39.67 95.35 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.154 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.516 HG13 ' O ' ' A' ' 95' ' ' THR . 80.4 mt -62.5 -41.22 91.11 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-O 121.167 0.508 . . . . 0.0 110.242 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -60.49 -47.81 84.51 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.75 178.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 95.0 mt -59.45 -39.85 84.93 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.804 179.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -63.93 -49.75 71.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.455 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.401 ' OD1' HD11 ' A' ' 33' ' ' LEU . 11.2 t70 -66.03 -36.9 84.52 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.492 -179.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 19.3 tp -61.93 -50.22 73.03 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.438 0.637 . . . . 0.0 110.118 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.413 ' O ' ' HB3' ' A' ' 108' ' ' GLU . 37.3 tttp -65.78 -25.54 67.3 Favored 'General case' 0 N--CA 1.439 -1.017 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.652 179.288 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.437 ' HG2' ' HE3' ' A' ' 110' ' ' LYS . 35.7 tt0 -65.67 -32.98 74.84 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 175.148 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 20.3 m -63.83 -46.56 84.49 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 175.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.413 ' HB3' ' O ' ' A' ' 105' ' ' LYS . 27.3 tt0 -51.36 -48.42 62.49 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.883 176.295 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.474 ' O ' ' HG2' ' A' ' 112' ' ' LYS . 57.0 tp60 -58.0 -43.24 86.5 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.079 179.447 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.437 ' HE3' ' HG2' ' A' ' 106' ' ' GLU . 96.8 mttt -71.97 -43.88 64.43 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.489 0.552 . . . . 0.0 112.489 -177.271 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.5 p -62.52 -42.8 97.19 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.458 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 109' ' ' GLN . 9.0 pttp -71.88 -21.3 61.67 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 121.029 0.442 . . . . 0.0 110.566 177.169 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -70.03 -32.67 70.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.217 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.431 HG22 HG23 ' A' ' 116' ' ' THR . 1.5 mp -69.44 118.25 13.47 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-O 120.833 0.349 . . . . 0.0 110.287 179.046 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -75.88 123.98 26.58 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 121.255 0.55 . . . . 0.0 110.052 176.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.444 HG22 ' O ' ' A' ' 47' ' ' LYS . 32.2 p -111.11 174.36 5.9 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -178.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 . . . . . 0 C--O 1.244 0.771 0 CA-C-N 114.909 -1.041 . . . . 0.0 111.135 -178.487 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 N--CA 1.479 0.976 0 CA-C-O 121.235 0.54 . . . . 0.0 110.139 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -128.33 154.03 46.38 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.579 178.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -84.59 83.19 8.1 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.904 0.383 . . . . 0.0 110.918 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.535 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -122.8 163.65 31.74 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.419 178.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_endo -82.06 -90.24 0.0 OUTLIER 'Trans proline' 0 N--CA 1.442 -1.547 0 C-N-CA 122.332 2.021 . . . . 0.0 110.559 175.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm 40.13 69.83 0.28 Allowed 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.575 0.75 . . . . 0.0 112.818 -179.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.22 -11.51 25.95 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.21 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -91.14 134.11 34.8 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -105.13 14.19 29.55 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.429 -176.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 69.29 108.23 0.05 Allowed 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.283 0.563 . . . . 0.0 109.826 -175.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -130.4 115.99 17.64 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.955 -173.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -86.31 95.53 9.67 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.915 178.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -133.69 104.42 6.33 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.865 -179.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 61.33 14.7 5.89 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.023 -178.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -70.94 -25.32 62.69 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 176.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -119.98 173.11 7.27 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 107.586 -1.264 . . . . 0.0 107.586 175.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -110.09 176.49 5.04 Favored 'General case' 0 C--N 1.315 -0.906 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.84 -178.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.2 mt -58.2 -65.72 0.6 Allowed 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -176.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.444 HD11 ' CD1' ' A' ' 90' ' ' TYR . 24.0 mm -66.67 -36.12 76.47 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.525 0 CA-C-O 120.752 0.31 . . . . 0.0 110.5 -179.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -55.63 -46.4 77.43 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.263 178.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -66.29 -47.9 72.14 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 120.763 0.316 . . . . 0.0 110.437 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.59 -43.13 75.7 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 121.18 0.514 . . . . 0.0 110.92 177.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -60.36 -42.4 95.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.912 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -64.61 -45.17 88.06 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.345 177.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.5 -45.89 88.59 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.6 pt -65.26 -36.42 77.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 C-N-CA 120.524 -0.47 . . . . 0.0 111.015 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -63.94 -40.96 97.64 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-O 120.952 0.406 . . . . 0.0 110.254 175.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -65.55 -44.31 87.21 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 178.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.25 -43.14 93.69 Favored Glycine 0 C--O 1.222 -0.607 0 CA-C-N 115.479 -0.782 . . . . 0.0 112.188 177.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -56.51 -45.98 80.79 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.143 0.497 . . . . 0.0 110.353 178.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -64.18 -49.27 72.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.289 -177.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.05 -33.01 69.88 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -177.397 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.545 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 1.7 tm? -69.26 -50.3 48.22 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 178.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.409 ' O ' ' HD2' ' A' ' 38' ' ' HIS . 69.3 mt -63.85 -33.07 74.85 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -179.664 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -66.29 -52.03 51.49 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.272 178.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.436 ' O ' HD23 ' A' ' 36' ' ' LEU . 5.6 tt -60.1 -34.28 73.26 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.927 -178.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.545 ' HG3' ' O ' ' A' ' 33' ' ' LEU . 91.5 mt-30 -58.42 -37.63 75.77 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 120.927 0.394 . . . . 0.0 110.192 178.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.409 ' HD2' ' O ' ' A' ' 34' ' ' LEU . 68.5 m-70 -66.17 -38.09 87.24 Favored 'General case' 0 C--O 1.247 0.922 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.601 178.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -68.97 -42.77 76.13 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.263 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.471 HD13 HG22 ' A' ' 111' ' ' VAL . 30.4 tp -51.42 -47.45 62.98 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.868 174.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -57.21 -40.0 76.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.246 0.546 . . . . 0.0 110.469 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -67.29 -44.26 79.72 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.053 176.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -58.58 -39.73 81.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.372 178.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -57.28 -34.07 68.28 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 121.042 0.449 . . . . 0.0 110.501 179.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -82.91 -42.9 17.14 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.854 -179.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.475 ' HB3' ' OG ' ' A' ' 48' ' ' SER . 23.9 m-80 -76.62 -35.94 57.75 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -176.242 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt 59.63 22.68 11.4 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 115.388 -0.823 . . . . 0.0 109.215 -175.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.475 ' OG ' ' HB3' ' A' ' 46' ' ' ASN . 53.0 m -69.18 120.1 14.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.176 -177.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.454 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 0.1 OUTLIER -62.45 -42.28 99.36 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.187 179.12 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.424 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 7.8 mm-40 -61.32 -46.01 92.04 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 116.784 -0.189 . . . . 0.0 111.06 179.191 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 45.2 tp -62.09 -41.54 98.29 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -60.29 -47.13 87.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.122 178.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.622 ' O ' ' HD3' ' A' ' 57' ' ' ARG . 7.3 mm-40 -61.09 -45.99 92.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.003 -178.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.455 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -62.86 -43.96 97.4 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 179.28 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 63.8 mt -61.23 -50.15 81.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.864 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 79.2 mt -61.94 -39.24 82.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.708 0.29 . . . . 0.0 110.942 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.622 ' HD3' ' O ' ' A' ' 53' ' ' GLU . 7.4 mpt_? -67.35 -48.45 67.46 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.604 -178.351 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.464 ' O ' HG22 ' A' ' 61' ' ' VAL . 10.8 pt-20 -69.49 -32.13 70.82 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 119.816 -0.754 . . . . 0.0 110.67 179.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.1 tt -61.84 -46.65 88.56 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 176.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -63.54 -43.81 96.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.888 -178.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' ' 57' ' ' ARG . 5.3 m -63.8 -37.65 80.28 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 120.449 -0.501 . . . . 0.0 110.811 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 72.0 t -70.21 -39.29 76.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 177.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 42.4 t -62.61 -41.56 99.07 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.87 178.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.71 -48.1 70.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.374 -178.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.421 ' HG3' HD12 ' A' ' 66' ' ' ILE . 23.2 ptp -65.61 -36.33 83.42 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.626 -179.42 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.421 HD12 ' HG3' ' A' ' 65' ' ' MET . 1.5 mp -67.83 -43.15 86.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.475 177.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -61.13 -39.64 90.79 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.103 0.478 . . . . 0.0 110.524 178.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -68.44 -48.14 53.11 Favored Glycine 0 N--CA 1.439 -1.145 0 CA-C-N 115.325 -0.852 . . . . 0.0 113.104 -177.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.06 -44.0 70.05 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.505 0.187 . . . . 0.0 111.505 -178.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.631 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 10.6 pt20 -63.57 -36.44 83.81 Favored 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.285 -178.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -69.27 -43.96 68.16 Favored Glycine 0 C--O 1.24 0.525 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.06 178.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.8 -53.78 29.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.108 -0.546 . . . . 0.0 110.138 -178.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.607 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 48.3 tp -56.19 -44.72 79.71 Favored 'General case' 0 C--O 1.214 -0.769 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.409 179.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.631 ' HB2' ' O ' ' A' ' 70' ' ' GLN . 2.3 tm-20 -55.68 -49.88 71.77 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.154 0.502 . . . . 0.0 110.362 -179.096 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -57.24 -45.74 83.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.003 178.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -71.24 -54.54 10.56 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.47 -176.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 2.9 pp -58.27 -19.43 34.29 Favored 'General case' 0 CA--C 1.516 -0.34 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.43 ' HD3' ' HA ' ' A' ' 78' ' ' LYS . 37.5 mmtt -72.64 -10.76 60.18 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 120.916 -0.314 . . . . 0.0 111.577 178.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -56.68 -35.03 67.97 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.253 0.549 . . . . 0.0 110.033 -179.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.2 t -148.12 115.48 6.24 Favored 'General case' 0 N--CA 1.436 -1.166 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.701 178.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -138.71 21.94 2.68 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.03 0.443 . . . . 0.0 110.068 -178.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.475 ' O ' ' HB2' ' A' ' 83' ' ' ASN . 3.6 tt -91.31 105.47 17.81 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 -177.031 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.533 ' HB3' ' HB2' ' A' ' 86' ' ' GLU . 22.4 t-20 168.63 131.47 0.02 OUTLIER 'General case' 0 CA--C 1.501 -0.924 0 O-C-N 124.046 0.841 . . . . 0.0 108.835 -176.283 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 50.0 mt -57.19 -47.19 84.52 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.183 0 CA-C-O 121.228 0.537 . . . . 0.0 110.956 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -75.43 -49.67 18.19 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.049 -175.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.533 ' HB2' ' HB3' ' A' ' 83' ' ' ASN . 46.1 mt-10 -61.94 -41.12 97.59 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.714 -0.221 . . . . 0.0 111.155 -178.293 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -58.65 -45.68 88.8 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.065 0.46 . . . . 0.0 110.09 177.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -59.74 -42.17 92.58 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.647 177.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.77 -49.94 74.34 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.542 179.22 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.444 ' CD1' HD11 ' A' ' 19' ' ' ILE . 4.5 m-30 -54.72 -54.59 39.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.415 177.016 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -57.56 -48.6 78.89 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.045 -178.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.412 ' O ' ' HB ' ' A' ' 95' ' ' THR . 6.9 tp10 -66.33 -45.74 79.22 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.601 -177.635 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.98 -44.46 91.6 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-O 120.82 0.343 . . . . 0.0 111.017 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.449 ' O ' ' HG3' ' A' ' 98' ' ' LYS . 98.7 mt-30 -64.33 -35.02 79.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.397 178.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.488 ' O ' HG13 ' A' ' 99' ' ' ILE . 53.6 m -58.3 -46.77 85.5 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.943 175.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 85.6 mt -70.08 -34.91 73.76 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.09 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 46.6 m -60.06 -50.57 73.19 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.683 179.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 94' ' ' GLN . 43.5 mtmt -59.44 -38.14 79.94 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.629 179.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 95' ' ' THR . 84.2 mt -63.55 -45.84 96.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-O 121.278 0.561 . . . . 0.0 110.019 178.393 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 65.7 tp -59.16 -51.46 69.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.032 -0.985 . . . . 0.0 111.154 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.44 -39.77 88.68 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.043 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -64.15 -37.5 87.67 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.477 178.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -70.82 -34.99 72.29 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.299 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.06 -49.68 76.36 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 120.84 0.352 . . . . 0.0 110.407 177.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.434 ' O ' ' HG3' ' A' ' 109' ' ' GLN . 26.4 mtpp -64.24 -31.0 72.03 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.081 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.575 ' O ' ' HD3' ' A' ' 110' ' ' LYS . 42.8 tt0 -66.62 -41.34 88.5 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 177.442 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.471 HG23 HD22 ' A' ' 40' ' ' LEU . 57.0 m -67.68 -43.13 80.92 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 114.944 -1.025 . . . . 0.0 109.469 178.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -49.4 -55.67 12.23 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 123.621 0.768 . . . . 0.0 111.03 174.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.434 ' HG3' ' O ' ' A' ' 105' ' ' LYS . 88.3 mt-30 -59.2 -34.26 71.95 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.641 -179.54 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.575 ' HD3' ' O ' ' A' ' 106' ' ' GLU . 4.7 mptp? -66.22 -45.56 80.25 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.162 0.506 . . . . 0.0 111.71 179.166 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.471 HG22 HD13 ' A' ' 40' ' ' LEU . 46.7 t -60.22 -46.47 94.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.709 178.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -72.36 -15.23 61.86 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.274 -0.876 . . . . 0.0 111.173 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.461 ' HB3' ' O ' ' A' ' 110' ' ' LYS . 17.6 t70 -75.24 -31.48 60.84 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.073 178.262 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -73.9 125.01 32.41 Favored 'Isoleucine or valine' 0 C--O 1.242 0.664 0 CA-C-O 121.464 0.65 . . . . 0.0 111.33 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 27.0 pt20 -77.04 118.88 20.03 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.906 177.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 50.1 p -110.1 171.58 7.37 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -178.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 . . . . . 0 C--O 1.243 0.748 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.517 -179.093 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 26.6 mp0 . . . . . 0 N--CA 1.473 0.702 0 CA-C-O 120.811 0.339 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -136.92 171.09 15.02 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.936 177.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.3 t60 59.84 47.06 10.57 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 121.423 0.63 . . . . 0.0 109.906 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.445 ' HE3' ' O ' ' A' ' 6' ' ' LYS . 54.7 pttt -62.1 151.57 80.55 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.375 -179.447 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -57.34 -48.2 18.67 Favored 'Trans proline' 0 C--N 1.355 0.894 0 C-N-CA 122.819 2.346 . . . . 0.0 112.596 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.445 ' O ' ' HE3' ' A' ' 4' ' ' LYS . 44.7 mmtm -74.98 74.57 2.19 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.975 0.417 . . . . 0.0 111.053 178.351 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -165.18 172.91 11.93 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -72.35 78.43 1.01 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.878 0.37 . . . . 0.0 110.804 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -107.45 35.37 3.09 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -46.35 -38.82 9.34 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.641 -178.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -83.8 82.08 8.48 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 177.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -116.82 142.49 46.86 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -75.63 -164.51 0.35 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.384 0.611 . . . . 0.0 111.078 -179.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.488 ' HB2' HD22 ' A' ' 17' ' ' LEU . 99.0 m-85 -129.04 -174.47 3.27 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.817 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -55.23 -57.65 10.92 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 123.372 0.42 . . . . 0.0 111.174 -179.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -167.92 101.39 0.46 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.466 0.65 . . . . 0.0 111.313 176.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.636 ' CD2' ' HB2' ' A' ' 20' ' ' GLU . 1.2 pt? -111.43 179.01 4.15 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.205 177.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.9 mt -65.95 -53.0 44.69 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.004 0.43 . . . . 0.0 111.115 -177.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.495 HD11 ' CD1' ' A' ' 90' ' ' TYR . 23.4 mm -64.0 -23.95 34.59 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-O 121.2 0.524 . . . . 0.0 110.39 178.342 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.636 ' HB2' ' CD2' ' A' ' 17' ' ' LEU . 1.7 tm-20 -62.59 -53.11 59.45 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.216 176.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -61.09 -36.17 78.95 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.192 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.7 -50.49 13.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.997 -175.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.425 ' ND2' ' HA ' ' A' ' 20' ' ' GLU . 1.8 p30 -64.65 -32.57 74.29 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.066 -176.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -76.06 -39.3 55.75 Favored 'General case' 0 N--CA 1.443 -0.816 0 C-N-CA 120.38 -0.528 . . . . 0.0 111.312 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.96 -45.85 80.24 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 120.659 0.266 . . . . 0.0 111.513 179.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.7 pp -66.74 -32.11 56.56 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.151 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -63.2 -44.81 94.29 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 176.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.8 ttmp? -65.23 -43.17 92.29 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.12 178.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.455 ' O ' ' HG3' ' A' ' 32' ' ' GLN . . . -61.33 -41.74 99.59 Favored Glycine 0 C--N 1.336 0.577 0 C-N-CA 121.219 -0.515 . . . . 0.0 111.984 179.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.531 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 35.8 tt0 -57.69 -49.31 76.95 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 123.03 0.532 . . . . 0.0 110.554 179.244 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -68.81 -39.74 79.9 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.234 -177.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.455 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -69.38 -29.38 67.14 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.004 178.425 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -66.11 -45.56 80.74 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 176.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 30' ' ' GLU . 69.3 mt -65.4 -35.24 80.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.968 179.408 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -66.48 -55.67 14.55 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.123 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.61 -30.69 70.0 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.882 0.372 . . . . 0.0 111.233 -178.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -57.82 -33.75 68.94 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-O 121.363 0.601 . . . . 0.0 109.781 178.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -69.55 -40.71 76.66 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.889 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -56.85 -43.71 81.43 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.142 176.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.4 tt -50.5 -49.13 56.34 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.466 175.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -56.49 -41.36 76.52 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 120.81 0.338 . . . . 0.0 111.568 179.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -68.1 -44.05 77.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.48 0.657 . . . . 0.0 109.487 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.1 tp -57.17 -42.4 81.07 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.296 178.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.639 ' O ' ' HE3' ' A' ' 47' ' ' LYS . 7.1 m-20 -59.24 -35.15 73.16 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.023 0.44 . . . . 0.0 111.193 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -79.4 -46.76 16.96 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.435 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -77.91 -34.08 51.53 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -175.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.639 ' HE3' ' O ' ' A' ' 44' ' ' ASN . 33.1 mmtp 58.93 25.24 13.48 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.445 -177.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.2 m -68.5 119.45 12.98 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.757 -178.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.526 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.3 OUTLIER -61.25 -42.04 97.95 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.911 179.283 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.449 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 5.4 pt-20 -64.57 -41.9 95.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.56 178.196 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 61.4 tp -64.48 -40.44 95.68 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -56.76 -47.93 78.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.522 178.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.489 ' HB3' ' NH1' ' A' ' 57' ' ' ARG . 43.1 mt-10 -63.43 -43.11 98.4 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.255 -177.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 7.8 mtpm? -64.59 -41.86 95.97 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.972 0.415 . . . . 0.0 110.317 179.181 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.462 ' O ' ' HB2' ' A' ' 59' ' ' LEU . 70.3 mt -60.21 -45.14 96.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.092 178.033 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 80.5 mt -67.51 -36.35 76.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.18 178.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.489 ' NH1' ' HB3' ' A' ' 53' ' ' GLU . 2.4 mpt_? -65.8 -46.26 79.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.801 -0.181 . . . . 0.0 111.056 -179.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.503 ' HA ' HG12 ' A' ' 61' ' ' VAL . 7.6 mm-40 -71.98 -32.75 67.54 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.137 178.16 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.462 ' HB2' ' O ' ' A' ' 55' ' ' ILE . 13.5 tp -63.09 -48.62 77.82 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.282 0.563 . . . . 0.0 109.656 177.533 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.498 ' HA ' ' SG ' ' A' ' 63' ' ' CYS . 27.5 t70 -61.47 -47.32 86.2 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.177 -179.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.503 HG12 ' HA ' ' A' ' 58' ' ' GLU . 7.5 p -63.85 -40.59 89.6 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -179.607 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 76.8 t -71.95 -41.0 68.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.598 -178.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.498 ' SG ' ' HA ' ' A' ' 60' ' ' ASP . 21.1 p -66.36 -32.77 74.37 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 119.771 -0.772 . . . . 0.0 110.667 -179.036 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.18 -46.13 61.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.436 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.462 ' HG3' HD12 ' A' ' 66' ' ' ILE . 21.9 ptp -65.65 -41.1 92.95 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.31 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.462 HD12 ' HG3' ' A' ' 65' ' ' MET . 1.4 mp -65.44 -43.91 94.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.836 178.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -68.44 -36.19 78.68 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 120.83 0.348 . . . . 0.0 111.298 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -68.18 -45.42 71.25 Favored Glycine 0 N--CA 1.442 -0.966 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.212 -179.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.57 -41.24 72.68 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.06 -41.48 96.69 Favored 'General case' 0 C--O 1.217 -0.609 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.418 ' O ' ' HG3' ' A' ' 74' ' ' GLU . . . -68.86 -46.87 58.47 Favored Glycine 0 C--O 1.245 0.806 0 CA-C-N 115.185 -0.916 . . . . 0.0 112.56 -179.161 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.47 -54.66 21.51 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.123 0.487 . . . . 0.0 110.723 -177.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.425 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 29.3 tp -56.14 -48.03 77.05 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.261 -179.302 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.672 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 2.5 pp20? -58.92 -40.42 84.5 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.931 -177.23 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -59.42 -44.34 92.89 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.249 177.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -65.06 -55.38 19.17 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.365 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.497 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 3.9 pp -60.13 -19.39 53.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.406 -179.187 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.672 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 29.8 mmtm -69.79 -38.54 76.71 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 121.009 0.433 . . . . 0.0 111.156 179.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 61.0 mtp85 -66.24 -26.05 67.18 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.771 -179.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 20.0 m -71.59 138.18 48.57 Favored 'General case' 0 N--CA 1.431 -1.389 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.247 178.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -69.9 156.21 39.41 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 178.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.456 HD23 ' HB2' ' A' ' 87' ' ' ARG . 0.0 OUTLIER -147.66 148.78 31.42 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 -175.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -88.74 176.19 7.18 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.706 -1.134 . . . . 0.0 110.496 177.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.406 HD12 ' N ' ' A' ' 84' ' ' ILE . 2.3 mp -57.68 -33.57 45.36 Favored 'Isoleucine or valine' 0 C--O 1.241 0.621 0 CA-C-O 121.198 0.523 . . . . 0.0 110.783 177.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 60.3 tp -75.41 -46.45 32.76 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.469 -178.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.432 ' HB2' ' HB2' ' A' ' 82' ' ' LEU . 48.9 mt-10 -61.76 -40.95 96.93 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.578 179.159 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.456 ' HB2' HD23 ' A' ' 82' ' ' LEU . 74.2 ttt180 -54.24 -49.73 68.81 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 121.023 0.44 . . . . 0.0 110.056 176.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -60.97 -43.75 98.31 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.04 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -61.33 -50.56 72.43 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.095 179.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.495 ' CD1' HD11 ' A' ' 19' ' ' ILE . 3.8 m-30 -53.92 -53.91 46.11 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.23 0.538 . . . . 0.0 110.411 176.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -54.98 -51.32 66.59 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.124 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -62.29 -42.81 99.67 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -176.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.37 -47.55 83.65 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-O 121.064 0.459 . . . . 0.0 110.578 -177.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -68.42 -33.58 74.47 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.191 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.421 ' O ' HG13 ' A' ' 99' ' ' ILE . 52.7 m -59.16 -46.71 87.68 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.075 176.085 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.465 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 92.0 mt -65.03 -39.21 93.05 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.85 178.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.542 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 47.1 t -56.35 -45.96 80.2 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.965 178.531 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.408 ' HE2' ' HA ' ' A' ' 98' ' ' LYS . 8.4 mmpt? -63.04 -41.5 99.51 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.399 -178.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 95' ' ' THR . 78.2 mt -63.53 -44.02 98.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.235 179.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 96' ' ' LEU . 99.3 mt -63.37 -41.31 98.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.772 179.321 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 97' ' ' SER . 90.3 mt -64.49 -44.94 89.4 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.989 179.36 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -62.12 -42.87 99.67 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.678 179.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -64.63 -34.45 78.31 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.525 -0.47 . . . . 0.0 109.833 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 17.1 tp -64.88 -45.49 85.76 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 178.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 101' ' ' LEU . 32.1 mmmt -57.96 -39.24 77.63 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.893 176.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.481 ' O ' ' HG3' ' A' ' 110' ' ' LYS . 8.6 tp10 -60.85 -38.79 86.76 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 177.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 27.8 m -62.11 -55.39 29.37 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.389 -178.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -56.07 -41.14 74.65 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.437 0.161 . . . . 0.0 111.359 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -61.45 -42.19 98.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.402 179.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' A' ' 106' ' ' GLU . 29.5 mtpp -63.86 -41.11 97.87 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.4 0.619 . . . . 0.0 110.546 178.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 95.1 t -59.79 -42.28 88.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.535 177.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -66.96 -24.08 66.02 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.574 177.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -77.94 -21.7 50.68 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.733 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.1 mp -78.41 149.35 5.77 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-O 120.795 0.331 . . . . 0.0 110.379 -179.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -90.95 166.06 13.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.359 177.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.413 ' HB ' ' HB3' ' A' ' 49' ' ' LYS . 3.6 p -154.39 156.27 36.53 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.798 -0.183 . . . . 0.0 111.266 -172.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.715 -0.66 . . . . 0.0 110.976 177.432 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 . . . . . 0 N--CA 1.472 0.649 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -171.15 -170.59 0.86 Allowed 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.644 -175.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -120.84 -153.33 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 175.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 50.3 pttt -62.72 152.93 80.69 Favored Pre-proline 0 C--O 1.237 0.41 0 CA-C-O 120.434 0.159 . . . . 0.0 110.974 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -60.93 -173.09 0.09 OUTLIER 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 123.082 2.522 . . . . 0.0 113.604 -177.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -101.58 92.45 4.89 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.325 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.517 ' HD3' ' H ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -118.3 149.12 41.69 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.018 -179.783 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -179.56 150.07 0.4 Allowed 'General case' 0 C--N 1.318 -0.802 0 O-C-N 123.678 0.611 . . . . 0.0 110.065 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.429 ' HB3' ' HB3' ' A' ' 12' ' ' ASN . 4.9 t70 -98.42 33.41 2.24 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.055 0.455 . . . . 0.0 110.189 -177.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.505 ' O ' ' HB2' ' A' ' 11' ' ' ARG . 47.6 m-85 71.91 32.0 1.95 Allowed 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.429 178.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.505 ' HB2' ' O ' ' A' ' 10' ' ' PHE . 7.3 mpt_? 78.6 17.61 1.05 Allowed 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.545 177.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.429 ' HB3' ' HB3' ' A' ' 9' ' ' ASP . 55.6 t30 -61.27 148.85 39.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.355 178.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -50.77 -60.16 3.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.526 -178.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -122.69 114.62 20.82 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.422 -0.511 . . . . 0.0 111.43 -179.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -71.22 -57.91 4.04 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 176.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 56.1 m80 -150.69 104.52 3.2 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.284 177.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.465 ' HG ' ' N ' ' A' ' 18' ' ' LEU . 42.7 tp -111.47 171.26 7.59 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.26 179.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.465 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 79.7 mt -55.19 -47.34 75.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.829 0.347 . . . . 0.0 111.283 179.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.616 HD11 ' CD1' ' A' ' 90' ' ' TYR . 22.5 mm -64.09 -39.25 84.81 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.407 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.073 178.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -60.38 -34.48 73.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.72 178.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -71.4 -51.48 23.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.207 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.43 -43.51 83.93 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.195 177.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 41.0 t-20 -60.4 -37.92 82.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.683 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -68.28 -43.74 77.06 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.457 179.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.26 -47.97 77.52 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 35.7 pt -64.75 -36.69 78.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.103 -179.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -59.62 -45.4 92.05 Favored 'General case' 0 C--O 1.247 0.969 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 176.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.553 ' HB3' ' HZ2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -65.87 -41.63 91.37 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.706 177.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.37 -44.74 96.36 Favored Glycine 0 C--N 1.34 0.776 0 C-N-CA 121.341 -0.457 . . . . 0.0 112.577 179.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.5 tt0 -57.45 -46.77 83.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.263 0.554 . . . . 0.0 110.647 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.474 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 44.9 t-80 -63.6 -45.05 92.12 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.602 -177.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -72.84 -31.79 65.03 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.854 -0.338 . . . . 0.0 111.52 -179.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -65.24 -48.39 73.44 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 178.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 31' ' ' HIS . 4.7 pp -64.43 -27.0 68.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.049 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -69.92 -56.72 6.3 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.191 176.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 71.1 mt -62.71 -36.02 81.61 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.469 -175.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -59.56 -40.6 87.84 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 178.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 42.6 t60 -70.04 -33.69 72.29 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.156 177.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -65.11 -43.83 90.75 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.458 HD21 ' HB ' ' A' ' 111' ' ' VAL . 0.3 OUTLIER -54.48 -41.17 69.23 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.147 175.661 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -59.57 -39.76 85.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.243 0.544 . . . . 0.0 109.985 178.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -67.05 -44.18 80.84 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.316 177.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 38.3 tp -55.65 -36.69 67.33 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.866 177.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.407 ' OD1' HD11 ' A' ' 114' ' ' ILE . 13.5 m-80 -62.15 -33.45 74.52 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.353 0.597 . . . . 0.0 111.076 178.06 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -85.69 -48.36 8.92 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.641 -0.709 . . . . 0.0 112.007 -178.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.464 ' ND2' ' HB2' ' A' ' 48' ' ' SER . 59.2 t30 -78.85 -31.26 45.57 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 121.059 0.456 . . . . 0.0 111.371 -177.107 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.46 ' O ' HG22 ' A' ' 116' ' ' THR . 0.2 OUTLIER 58.17 22.52 9.22 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.439 -178.535 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.464 ' HB2' ' ND2' ' A' ' 46' ' ' ASN . 25.8 t -62.82 119.04 8.58 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.889 -178.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.683 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.4 OUTLIER -63.48 -40.15 96.33 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.439 177.704 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.517 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 34.6 mt-10 -62.69 -45.98 90.28 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 177.259 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 63.6 tp -60.22 -40.69 91.03 Favored 'General case' 0 C--O 1.223 -0.327 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 176.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.45 ' HB3' ' O ' ' A' ' 49' ' ' LYS . 18.9 tt0 -55.63 -49.4 72.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.672 176.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -61.48 -47.04 87.46 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.45 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.517 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 14.4 mmmm -59.45 -40.91 88.35 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 178.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.7 mt -62.57 -47.82 91.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.168 178.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 52' ' ' GLN . 35.8 mm -59.86 -42.67 89.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-O 120.973 0.416 . . . . 0.0 110.619 177.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? -68.08 -44.92 75.18 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.895 -177.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.423 ' O ' HG23 ' A' ' 62' ' ' VAL . 7.5 tp10 -73.02 -34.8 66.57 Favored 'General case' 0 N--CA 1.432 -1.363 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.276 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.6 tp -61.99 -46.67 88.2 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 178.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -58.69 -49.66 76.74 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.142 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.3 p -63.02 -37.18 78.67 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 CA-C-O 120.821 0.343 . . . . 0.0 110.844 -178.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 58' ' ' GLU . 53.9 t -68.03 -44.85 84.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.166 177.575 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 76.3 m -61.75 -42.39 98.91 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.27 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.77 -48.05 67.44 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -178.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.444 ' HG3' HD12 ' A' ' 66' ' ' ILE . 21.3 ptp -65.36 -39.71 92.68 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.555 -178.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.444 HD12 ' HG3' ' A' ' 65' ' ' MET . 1.4 mp -64.77 -43.45 96.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.429 178.336 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -66.46 -37.88 86.11 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 120.806 0.336 . . . . 0.0 111.23 -179.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.98 -48.11 68.5 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 121.066 -0.588 . . . . 0.0 112.456 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.31 -40.89 86.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.966 -0.117 . . . . 0.0 110.747 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.66 ' O ' ' HB2' ' A' ' 74' ' ' GLU . 16.3 mt-30 -62.77 -43.26 99.26 Favored 'General case' 0 C--O 1.21 -0.976 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.828 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.84 -43.77 93.31 Favored Glycine 0 C--O 1.239 0.414 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.554 -177.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.49 -54.19 26.76 Favored 'General case' 0 C--O 1.242 0.679 0 CA-C-O 121.336 0.589 . . . . 0.0 110.468 -178.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.562 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 53.2 tp -60.19 -41.84 93.79 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.177 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.66 ' HB2' ' O ' ' A' ' 70' ' ' GLN . 1.4 tm-20 -54.14 -51.71 63.41 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.996 0.427 . . . . 0.0 110.621 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 75' ' ' ARG . 16.2 ttm180 -58.31 -39.17 78.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.843 179.387 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -72.69 -55.85 6.18 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.244 -178.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.634 ' O ' ' HE2' ' A' ' 90' ' ' TYR . 3.5 pp -62.33 -21.16 65.06 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -178.42 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.456 ' N ' HD12 ' A' ' 77' ' ' LEU . 16.6 mmtp -68.36 -17.07 64.15 Favored 'General case' 0 C--N 1.305 -1.328 0 C-N-CA 119.74 -0.784 . . . . 0.0 111.892 -177.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 39.2 ttt85 -91.75 -22.24 20.28 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.969 178.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.2 p -81.98 12.11 4.45 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 -178.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.502 ' CG ' ' H ' ' A' ' 82' ' ' LEU . 26.1 t70 -57.78 -139.64 0.0 OUTLIER 'General case' 0 CA--C 1.569 1.7 0 C-N-CA 123.682 0.793 . . . . 0.0 110.074 171.41 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.559 ' O ' ' HB2' ' A' ' 83' ' ' ASN . 1.2 tt 59.11 65.14 1.24 Allowed 'General case' 0 N--CA 1.465 0.307 0 O-C-N 121.461 -0.774 . . . . 0.0 110.804 -178.093 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.559 ' HB2' ' O ' ' A' ' 82' ' ' LEU . 41.4 t30 165.95 138.57 0.01 OUTLIER 'General case' 0 CA--C 1.504 -0.826 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.357 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 61.6 mt -62.09 -42.38 94.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -178.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.8 tt -68.54 -52.1 35.68 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.647 -175.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -59.1 -40.31 84.9 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.367 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -61.2 -45.08 96.06 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.161 0.505 . . . . 0.0 110.653 -178.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -70.23 -48.18 58.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.297 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -56.47 -50.72 70.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.523 -179.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.634 ' HE2' ' O ' ' A' ' 77' ' ' LEU . 4.1 m-30 -55.64 -44.72 77.43 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.816 176.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -59.79 -40.86 89.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.479 -179.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -65.64 -47.42 75.64 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.348 178.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.66 -46.29 84.42 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.715 0.293 . . . . 0.0 110.75 178.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.412 ' O ' ' HG3' ' A' ' 98' ' ' LYS . 50.2 mt-30 -58.61 -38.63 78.4 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.169 177.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.523 ' O ' HG13 ' A' ' 99' ' ' ILE . 97.6 m -60.88 -49.17 78.54 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.827 179.188 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 81.9 mt -67.98 -37.16 81.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.185 -178.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.449 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 43.3 m -58.12 -48.97 78.58 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.8 179.64 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.412 ' HG3' ' O ' ' A' ' 94' ' ' GLN . 95.4 mttt -65.07 -32.47 74.2 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.164 -178.355 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 95' ' ' THR . 72.0 mt -67.49 -46.0 84.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-O 120.998 0.428 . . . . 0.0 110.244 177.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -61.58 -45.64 93.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.433 -179.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 97' ' ' SER . 97.2 mt -59.8 -41.94 92.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.478 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -65.39 -40.13 93.08 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.215 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -68.6 -36.33 78.54 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 30.8 tp -65.44 -44.23 87.96 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 121.233 0.539 . . . . 0.0 109.885 178.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -59.24 -30.24 68.11 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.064 176.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -68.31 -32.43 72.56 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 176.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 17.6 m -63.44 -49.36 74.01 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 176.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -53.06 -46.31 68.49 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.722 175.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -59.59 -40.63 88.07 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.889 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.6 tppt? -64.55 -49.24 72.0 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.764 -178.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.458 ' HB ' HD21 ' A' ' 40' ' ' LEU . 7.7 p -67.69 -39.67 82.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.499 -177.082 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 17.5 pttp -69.38 -20.59 63.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.889 0.376 . . . . 0.0 110.544 178.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -77.29 -30.06 54.03 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.054 178.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.407 HD11 ' OD1' ' A' ' 44' ' ' ASN . 1.4 mp -70.92 119.17 16.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 CA-C-O 121.811 0.815 . . . . 0.0 111.405 -178.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 14.9 pm0 -76.91 117.7 18.77 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.763 -1.108 . . . . 0.0 110.441 175.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.461 ' HB ' ' HB3' ' A' ' 49' ' ' LYS . 11.7 p -118.45 -170.25 1.86 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.54 0.21 . . . . 0.0 111.369 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 55.4 tp60 . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.456 -0.783 . . . . 0.0 110.342 -178.516 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 . . . . . 0 N--CA 1.472 0.643 0 CA-C-O 121.037 0.446 . . . . 0.0 109.92 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -71.9 124.75 25.55 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.165 -178.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.5 p-80 -139.47 70.01 1.37 Allowed 'General case' 0 C--N 1.312 -1.051 0 CA-C-O 121.974 0.892 . . . . 0.0 109.706 177.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.455 ' HB2' ' HD2' ' A' ' 5' ' ' PRO . 0.8 OUTLIER -84.18 163.1 49.46 Favored Pre-proline 0 C--N 1.318 -0.768 0 CA-C-N 114.603 -1.18 . . . . 0.0 110.927 179.311 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.455 ' HD2' ' HB2' ' A' ' 4' ' ' LYS . 21.1 Cg_endo -62.66 -154.88 0.02 OUTLIER 'Trans proline' 0 CA--C 1.547 1.131 0 C-N-CA 122.997 2.465 . . . . 0.0 112.938 176.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -155.07 167.79 29.19 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.633 -177.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -67.28 164.95 17.26 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 178.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -48.69 102.49 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 122.951 0.5 . . . . 0.0 112.087 -179.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -61.5 -30.72 70.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.158 176.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -129.5 85.77 2.35 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.831 177.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -47.26 123.92 6.07 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.426 176.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 45.2 t-20 -139.13 125.07 19.82 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.956 -178.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -106.18 165.45 11.23 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.702 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -55.88 135.29 52.18 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.242 0.544 . . . . 0.0 111.998 177.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -72.15 -22.54 61.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.656 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 49.6 m-70 -81.95 98.85 8.78 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.677 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.561 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 54.5 tp -172.92 114.16 0.26 Allowed 'General case' 0 C--O 1.24 0.597 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.39 179.025 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.483 HD13 ' HA ' ' A' ' 77' ' ' LEU . 64.2 mt -60.19 -50.08 75.1 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.507 -177.041 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.524 HD11 ' HD1' ' A' ' 90' ' ' TYR . 18.2 mm -59.24 -33.63 51.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.245 179.035 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.561 ' HB2' ' HB3' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -59.09 -51.83 68.36 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.5 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -59.82 -38.38 81.82 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.353 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.08 -38.15 69.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.516 0.674 . . . . 0.0 109.958 -179.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.59 -34.92 79.39 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.752 178.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.17 -46.01 71.91 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.349 178.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.5 ' O ' ' HG2' ' A' ' 28' ' ' LYS . . . -60.98 -46.5 90.49 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 178.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.3 pt -63.87 -35.59 73.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.057 -0.657 . . . . 0.0 110.71 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.416 ' O ' ' HD2' ' A' ' 31' ' ' HIS . 49.3 tp10 -60.24 -50.46 73.58 Favored 'General case' 0 C--O 1.247 0.956 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.119 177.304 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -64.23 -42.71 96.44 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 120.464 -0.495 . . . . 0.0 109.878 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.73 -43.89 96.13 Favored Glycine 0 C--N 1.341 0.81 0 CA-C-N 116.361 -0.381 . . . . 0.0 113.096 179.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.419 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 41.0 mt-10 -57.31 -48.48 78.83 Favored 'General case' 0 CA--C 1.508 -0.673 0 CA-C-O 120.747 0.308 . . . . 0.0 111.213 179.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.416 ' HD2' ' O ' ' A' ' 27' ' ' GLU . 31.4 m-70 -67.31 -32.79 74.01 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.539 -0.464 . . . . 0.0 111.33 -178.063 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -69.1 -45.28 70.61 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 176.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 104' ' ' LEU . 1.8 tm? -61.06 -51.43 69.21 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.727 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 30' ' ' GLU . 42.1 mt -63.85 -29.39 70.58 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 120.927 0.394 . . . . 0.0 110.347 -179.255 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -66.37 -54.14 27.88 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.251 177.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.0 mt -61.01 -32.43 72.02 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.571 -179.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' A' ' 33' ' ' LEU . 87.3 mt-30 -61.66 -34.28 75.44 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.182 0.515 . . . . 0.0 110.265 177.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -70.48 -39.25 74.33 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.102 177.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -62.8 -42.17 99.59 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 177.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.523 HD21 ' HB3' ' A' ' 110' ' ' LYS . 3.2 tm? -50.13 -51.42 43.38 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.527 176.496 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -56.36 -43.51 79.21 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-O 120.963 0.411 . . . . 0.0 110.978 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -64.45 -45.94 85.28 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 121.452 0.644 . . . . 0.0 110.148 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 39.8 tp -56.27 -41.53 75.98 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.936 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -57.81 -34.68 69.9 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.858 0.361 . . . . 0.0 111.109 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -80.03 -44.9 19.31 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.035 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -77.39 -35.9 53.96 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -176.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.404 ' O ' HG22 ' A' ' 116' ' ' THR . 43.0 mmtm 58.53 21.55 8.72 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.576 -175.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.0 t -68.9 124.9 24.97 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.303 -176.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.697 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -63.61 -39.87 95.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.564 176.538 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -65.66 -45.92 81.13 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.116 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.416 ' O ' HG13 ' A' ' 55' ' ' ILE . 46.9 tp -62.87 -41.34 99.35 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 178.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -58.13 -43.94 87.53 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.896 178.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.769 ' O ' ' HG2' ' A' ' 57' ' ' ARG . 12.3 mm-40 -59.22 -51.21 70.96 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.621 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -63.69 -41.79 98.1 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.718 0.294 . . . . 0.0 110.616 -177.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.518 ' O ' ' HB2' ' A' ' 59' ' ' LEU . 81.8 mt -59.28 -41.36 83.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.325 179.078 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 80.6 mt -72.26 -36.56 56.09 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 178.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.769 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 31.3 mmt180 -66.45 -52.2 48.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.016 -178.109 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.47 -32.99 74.71 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.998 179.464 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.518 ' HB2' ' O ' ' A' ' 55' ' ' ILE . 5.7 tt -62.6 -46.66 87.28 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 177.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -59.01 -45.74 89.95 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.43 -178.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 57' ' ' ARG . 61.6 t -62.16 -47.96 90.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.949 0.404 . . . . 0.0 111.202 -179.397 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.5 t -66.83 -39.83 84.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.721 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 43.6 t -61.99 -41.59 98.21 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.051 0.453 . . . . 0.0 109.995 178.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.45 -49.57 73.15 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.61 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.451 ' HG3' HD12 ' A' ' 66' ' ' ILE . 22.4 ptp -64.74 -35.67 81.83 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.554 -0.459 . . . . 0.0 110.62 -178.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.451 HD12 ' HG3' ' A' ' 65' ' ' MET . 1.4 mp -67.6 -46.94 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.094 178.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -62.31 -35.13 78.09 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.188 0.518 . . . . 0.0 110.094 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.27 -43.74 94.78 Favored Glycine 0 N--CA 1.438 -1.179 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.74 178.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 73' ' ' LEU . . . -70.27 -41.55 73.29 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 115.867 -0.167 . . . . 0.0 111.062 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -57.16 -43.21 82.32 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.226 0.536 . . . . 0.0 110.146 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.72 -46.61 73.92 Favored Glycine 0 CA--C 1.525 0.676 0 CA-C-N 115.189 -0.914 . . . . 0.0 112.701 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.53 -29.35 64.66 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-O 121.207 0.527 . . . . 0.0 111.33 -176.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.618 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 1.3 mm? -73.22 -56.45 5.07 Favored 'General case' 0 CA--C 1.5 -0.972 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.332 -174.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -56.68 -45.49 81.71 Favored 'General case' 0 C--O 1.215 -0.716 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.041 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 52.8 ttp180 -53.79 -47.83 70.39 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.75 -179.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.92 -56.22 4.78 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -179.025 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 4.3 pp -58.47 -26.2 63.12 Favored 'General case' 0 C--O 1.217 -0.622 0 N-CA-C 112.789 0.662 . . . . 0.0 112.789 -176.144 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.442 ' N ' HD12 ' A' ' 77' ' ' LEU . 11.0 mmmm -72.35 -31.77 65.91 Favored 'General case' 0 N--CA 1.435 -1.212 0 CA-C-O 121.077 0.465 . . . . 0.0 111.575 -178.152 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -83.31 -27.72 29.58 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.997 -177.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 15.4 m -103.0 77.67 1.58 Allowed 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.372 -0.974 . . . . 0.0 108.372 175.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -144.86 125.05 13.69 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 -175.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.512 ' O ' ' HB2' ' A' ' 83' ' ' ASN . 33.6 tp -163.47 78.77 0.43 Allowed 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 176.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.512 ' HB2' ' O ' ' A' ' 82' ' ' LEU . 19.9 t-20 171.9 126.9 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.369 -175.42 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.558 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 41.2 mm -56.82 -39.29 63.54 Favored 'Isoleucine or valine' 0 C--O 1.241 0.625 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.774 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -71.57 -40.76 69.73 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -177.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.45 ' HB2' ' HB3' ' A' ' 83' ' ' ASN . 11.3 mm-40 -61.13 -45.48 94.47 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.214 177.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.558 ' HG3' ' O ' ' A' ' 84' ' ' ILE . 6.6 ppt_? -62.52 -32.55 73.51 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 120.166 -0.614 . . . . 0.0 110.577 -178.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -69.76 -41.9 74.58 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.391 177.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -59.03 -49.34 78.25 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.308 0.575 . . . . 0.0 109.532 177.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.524 ' HD1' HD11 ' A' ' 19' ' ' ILE . 4.4 m-30 -55.97 -47.59 77.38 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.277 178.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -56.0 -46.71 78.66 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.72 178.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -63.33 -48.84 76.34 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.079 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.43 -44.88 85.04 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.129 0.49 . . . . 0.0 110.527 179.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -60.35 -42.19 95.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.858 177.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.499 ' O ' HG13 ' A' ' 99' ' ' ILE . 63.1 m -58.92 -53.36 59.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.27 177.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 86.7 mt -68.93 -39.26 79.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.881 -175.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.428 ' O ' HD23 ' A' ' 101' ' ' LEU . 31.6 p -60.84 -51.1 70.76 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -177.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -67.45 -29.61 69.11 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 120.562 -0.455 . . . . 0.0 111.38 -178.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 95' ' ' THR . 74.7 mt -64.16 -45.33 96.72 Favored 'Isoleucine or valine' 0 C--N 1.343 0.295 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 175.098 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 69.0 tp -62.8 -45.96 90.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.138 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.428 HD23 ' O ' ' A' ' 97' ' ' SER . 4.1 mm? -60.38 -43.29 96.74 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.965 179.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 22.2 ttpp -60.3 -52.21 66.23 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.231 178.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.65 -34.06 70.79 Favored 'General case' 0 C--O 1.242 0.687 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.464 ' HA ' HD23 ' A' ' 33' ' ' LEU . 61.1 tp -63.45 -48.0 79.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.992 0.425 . . . . 0.0 110.132 177.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.441 ' O ' ' HG3' ' A' ' 109' ' ' GLN . 95.0 mttt -60.62 -32.07 71.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.159 178.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -62.73 -42.23 99.56 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.538 0.685 . . . . 0.0 109.516 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.516 ' O ' HG23 ' A' ' 111' ' ' VAL . 10.8 m -66.79 -47.13 73.07 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.133 -0.94 . . . . 0.0 109.966 179.504 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -51.75 -52.07 51.48 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 122.448 0.299 . . . . 0.0 111.45 177.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.441 ' HG3' ' O ' ' A' ' 105' ' ' LYS . 77.4 mt-30 -54.68 -41.85 70.7 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.266 178.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.523 ' HB3' HD21 ' A' ' 40' ' ' LEU . 5.8 ttmm -62.92 -45.49 92.25 Favored 'General case' 0 N--CA 1.438 -1.039 0 CA-C-O 121.385 0.612 . . . . 0.0 110.611 179.437 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 107' ' ' THR . 99.0 t -58.83 -51.83 67.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.684 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 109' ' ' GLN . 13.5 ptmm? -69.1 -21.81 64.02 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.454 -178.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -79.15 -21.62 46.24 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.3 mp -71.49 120.48 19.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 174.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -71.19 123.18 21.61 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.083 0.468 . . . . 0.0 111.127 177.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.404 HG22 ' O ' ' A' ' 47' ' ' LYS . 60.5 p -115.95 -174.49 2.55 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.74 177.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 . . . . . 0 C--O 1.253 1.268 0 C-N-CA 123.194 0.598 . . . . 0.0 110.91 -179.312 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.752 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -134.99 145.41 48.08 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.971 -178.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -91.42 97.28 10.98 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.359 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.531 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -67.07 155.32 90.66 Favored Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -176.453 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -73.78 46.05 1.2 Allowed 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 123.335 2.69 . . . . 0.0 113.004 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -119.35 175.19 5.94 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 -178.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -71.94 102.85 3.03 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 175.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -174.61 120.59 0.24 Allowed 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.097 -177.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -109.57 -20.21 12.94 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.257 -178.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -91.37 121.07 32.77 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.569 0.699 . . . . 0.0 112.79 -174.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.4 ttp180 -79.32 -36.7 39.14 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.093 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.403 ' HB2' HD21 ' A' ' 17' ' ' LEU . 3.3 p-10 -153.03 125.72 8.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.15 -178.176 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -90.9 -79.93 0.35 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.044 177.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -73.37 143.56 46.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.553 177.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -57.6 -53.81 53.95 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -178.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 29.7 m80 -85.54 5.61 30.73 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.306 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.418 ' HA ' ' HB2' ' A' ' 20' ' ' GLU . 42.6 mt 44.97 48.4 9.38 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.747 1.018 . . . . 0.0 113.747 174.504 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.424 ' HA ' HD11 ' A' ' 73' ' ' LEU . 84.1 mt -58.39 -82.12 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 121.349 0.595 . . . . 0.0 111.522 -179.699 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.554 HD11 ' CD1' ' A' ' 90' ' ' TYR . 27.4 mm -66.54 -25.63 35.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.12 0.486 . . . . 0.0 109.915 178.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.418 ' HB2' ' HA ' ' A' ' 17' ' ' LEU . 33.2 mm-40 -57.33 -53.46 57.87 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.056 177.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -61.88 -44.4 96.88 Favored 'General case' 0 CA--C 1.501 -0.925 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.953 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.78 -52.83 62.61 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.156 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -66.83 -40.91 88.15 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -69.74 -40.29 76.28 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 119.722 -0.791 . . . . 0.0 111.057 -179.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.13 -41.79 98.6 Favored 'General case' 0 C--O 1.225 -0.214 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 178.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.2 pt -68.6 -35.78 71.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 C-N-CA 120.418 -0.513 . . . . 0.0 111.306 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.62 -47.67 77.72 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 120.911 0.386 . . . . 0.0 110.334 176.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -65.08 -45.08 86.71 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.447 ' O ' ' HG3' ' A' ' 32' ' ' GLN . . . -58.75 -44.86 95.56 Favored Glycine 0 N--CA 1.444 -0.798 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.853 179.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.415 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 38.4 tt0 -61.51 -47.82 83.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.132 0.491 . . . . 0.0 110.91 -179.512 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -64.04 -45.1 90.33 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.585 -176.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.456 ' CD ' HG11 ' A' ' 62' ' ' VAL . 4.5 pp0? -71.25 -31.7 67.84 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.606 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.541 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 2.2 tm? -66.85 -46.34 75.38 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 178.364 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 30' ' ' GLU . 95.1 mt -65.01 -30.12 71.08 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 178.22 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -66.29 -55.94 13.63 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.099 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.45 ' CD1' HG21 ' A' ' 107' ' ' THR . 4.7 pp -62.82 -28.01 69.71 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.617 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.541 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 74.1 mm-40 -53.11 -39.84 63.73 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -64.9 -44.8 88.4 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.973 177.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -55.14 -52.6 62.78 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.063 178.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -50.44 -51.88 42.84 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.232 178.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -60.45 -39.07 86.23 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.269 0.557 . . . . 0.0 110.978 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -63.24 -41.2 99.06 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.351 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.4 ' CD2' HG23 ' A' ' 111' ' ' VAL . 51.7 tp -64.57 -35.19 80.18 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 122.481 0.312 . . . . 0.0 111.774 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -58.79 -33.8 70.75 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.146 0.498 . . . . 0.0 110.391 -178.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -84.07 -45.75 12.71 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.643 -179.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -74.18 -34.34 63.74 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 120.778 0.323 . . . . 0.0 111.461 -176.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.516 ' O ' HG22 ' A' ' 116' ' ' THR . 7.3 tppt? 57.33 21.3 6.62 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.678 -176.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.8 t -66.58 119.14 11.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.93 -179.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.501 ' HD2' ' N ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -61.97 -42.22 98.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.003 178.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.501 ' N ' ' HD2' ' A' ' 49' ' ' LYS . 4.3 pt-20 -67.78 -37.05 81.54 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 178.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 51.8 tp -63.62 -42.3 98.2 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.603 -0.439 . . . . 0.0 109.857 175.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.459 ' O ' HG22 ' A' ' 56' ' ' ILE . 2.6 tt0 -57.36 -43.76 83.78 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.507 176.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -56.87 -48.6 77.74 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.63 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -64.07 -45.37 89.04 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.984 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 82.0 mt -63.04 -52.0 64.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.194 -177.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.459 HG22 ' O ' ' A' ' 52' ' ' GLN . 16.3 tt -68.81 -33.18 57.99 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 C-N-CA 120.462 -0.495 . . . . 0.0 111.338 -178.028 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.436 ' HD3' HG23 ' A' ' 56' ' ' ILE . 1.0 OUTLIER -69.22 -43.93 73.1 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.912 -0.131 . . . . 0.0 111.2 179.026 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -65.96 -33.68 76.37 Favored 'General case' 0 CA--C 1.517 -0.299 0 C-N-CA 119.986 -0.686 . . . . 0.0 110.154 177.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.414 HD13 ' O ' ' A' ' 59' ' ' LEU . 2.3 tm? -63.86 -46.23 85.92 Favored 'General case' 0 C--O 1.221 -0.431 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 177.399 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.55 ' HA ' ' SG ' ' A' ' 63' ' ' CYS . 22.9 t70 -57.73 -44.59 86.12 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.257 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 57' ' ' ARG . 50.6 t -61.03 -47.66 92.58 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.195 178.524 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.456 HG11 ' CD ' ' A' ' 32' ' ' GLN . 89.7 t -71.57 -44.02 70.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -178.303 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.55 ' SG ' ' HA ' ' A' ' 60' ' ' ASP . 26.1 p -63.7 -37.5 87.58 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 119.795 -0.762 . . . . 0.0 110.215 -179.24 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.81 -43.96 82.46 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.933 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.462 ' HG3' HD12 ' A' ' 66' ' ' ILE . 21.3 ptp -70.62 -38.86 73.99 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.405 -0.518 . . . . 0.0 110.198 -179.169 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.516 ' O ' ' HB2' ' A' ' 70' ' ' GLN . 1.5 mp -63.41 -42.95 98.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.837 178.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -69.98 -36.94 75.58 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 120.813 0.339 . . . . 0.0 111.312 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.73 -47.19 69.19 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.091 -178.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.33 -37.78 80.88 Favored 'General case' 0 C--O 1.217 -0.627 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.516 ' HB2' ' O ' ' A' ' 66' ' ' ILE . 0.1 OUTLIER -60.89 -42.39 97.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.165 0.507 . . . . 0.0 109.671 -179.757 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -68.8 -45.81 63.28 Favored Glycine 0 CA--C 1.524 0.597 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.789 -178.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.99 -35.05 71.95 Favored 'General case' 0 C--O 1.249 1.042 0 CA-C-O 121.362 0.601 . . . . 0.0 111.029 -176.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.424 HD11 ' HA ' ' A' ' 18' ' ' LEU . 27.4 tp -74.17 -48.84 26.52 Favored 'General case' 0 CA--C 1.502 -0.885 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.011 -174.395 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.489 ' HA ' ' HG ' ' A' ' 77' ' ' LEU . 0.6 OUTLIER -59.19 -39.05 81.35 Favored 'General case' 0 N--CA 1.437 -1.116 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.894 -179.116 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.437 ' HA ' ' NE ' ' A' ' 75' ' ' ARG . 0.5 OUTLIER -59.14 -39.67 83.1 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.322 178.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -68.9 -56.69 7.1 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.726 0.298 . . . . 0.0 110.902 177.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.489 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 4.0 pp -63.34 -20.21 65.31 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -177.126 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -68.17 -9.02 43.68 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 -177.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -49.13 -60.04 3.13 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -174.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 28.1 m -161.18 83.97 0.65 Allowed 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 121.084 -0.246 . . . . 0.0 110.97 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.545 ' HB3' ' CE2' ' A' ' 90' ' ' TYR . 2.0 p30 -80.16 56.09 2.35 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 177.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.569 ' O ' ' HB2' ' A' ' 83' ' ' ASN . 56.2 tp -89.97 101.97 14.68 Favored 'General case' 0 N--CA 1.445 -0.685 0 O-C-N 121.588 -0.695 . . . . 0.0 109.767 -178.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.569 ' HB2' ' O ' ' A' ' 82' ' ' LEU . 21.2 t-20 163.97 139.41 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.466 0 O-C-N 123.95 0.782 . . . . 0.0 110.039 -177.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 51.2 mm -56.15 -49.56 75.37 Favored 'Isoleucine or valine' 0 C--O 1.244 0.785 0 CA-C-N 116.281 -0.418 . . . . 0.0 112.093 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.1 tt -73.1 -48.59 34.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.439 -175.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -56.87 -49.54 75.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.499 -178.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -60.4 -39.58 87.87 Favored 'General case' 0 C--O 1.226 -0.132 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.872 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -62.18 -41.47 98.36 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.523 178.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.94 -48.19 74.99 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.687 179.347 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.554 ' CD1' HD11 ' A' ' 19' ' ' ILE . 3.6 m-30 -54.82 -53.95 48.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.102 178.001 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -56.69 -47.14 80.57 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.565 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -65.22 -45.77 83.35 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.329 -178.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.23 -46.69 82.74 Favored 'General case' 0 C--N 1.341 0.229 0 CA-C-O 120.632 0.253 . . . . 0.0 111.015 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 -62.82 -37.98 88.93 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.529 178.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.506 ' O ' HG13 ' A' ' 99' ' ' ILE . 89.2 m -59.17 -51.35 70.38 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.574 178.615 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 98.3 mt -69.9 -36.77 75.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.936 -178.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 23.2 t -58.93 -50.58 73.52 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.552 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -63.58 -34.4 77.73 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.245 -179.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 95' ' ' THR . 74.5 mt -63.53 -42.85 97.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-O 121.069 0.461 . . . . 0.0 109.851 177.287 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.422 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 87.8 mt -63.86 -40.41 96.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.783 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 83.1 mt -60.77 -44.56 96.61 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.74 178.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -65.48 -33.99 77.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.222 179.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.419 ' O ' ' HB3' ' A' ' 106' ' ' GLU . 7.9 t70 -71.4 -42.09 68.8 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.368 -0.533 . . . . 0.0 109.891 179.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.436 HD23 HD23 ' A' ' 33' ' ' LEU . 96.3 mt -57.65 -44.87 85.97 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.851 0.358 . . . . 0.0 110.984 175.376 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.455 ' HA ' ' HG2' ' A' ' 108' ' ' GLU . 66.3 mttm -61.73 -30.61 70.89 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.046 0.451 . . . . 0.0 111.255 177.507 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.419 ' HB3' ' O ' ' A' ' 103' ' ' ASP . 17.8 tp10 -68.31 -43.07 78.43 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.829 177.384 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.45 HG21 ' CD1' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -69.96 -48.96 56.24 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.232 -179.082 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.455 ' HG2' ' HA ' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -53.98 -41.62 68.07 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.592 0.234 . . . . 0.0 111.23 177.716 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.555 ' O ' ' HG2' ' A' ' 112' ' ' LYS . 51.5 tt0 -63.08 -38.95 93.22 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-O 120.755 0.312 . . . . 0.0 110.919 177.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.469 ' O ' ' HB3' ' A' ' 113' ' ' ASP . 31.7 mttp -67.56 -45.9 74.27 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -179.114 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.4 HG23 ' CD2' ' A' ' 43' ' ' LEU . 7.6 p -64.34 -40.61 89.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.917 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.555 ' HG2' ' O ' ' A' ' 109' ' ' GLN . 10.7 ptmm? -73.27 -18.91 61.17 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.114 0.483 . . . . 0.0 110.348 177.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.469 ' HB3' ' O ' ' A' ' 110' ' ' LYS . 17.9 t70 -71.57 -32.72 68.39 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.778 178.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.476 HG22 HG23 ' A' ' 116' ' ' THR . 1.3 mp -72.93 123.69 28.25 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 CA-C-O 121.853 0.835 . . . . 0.0 111.04 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -80.3 119.31 22.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.784 -1.098 . . . . 0.0 109.565 178.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.516 HG22 ' O ' ' A' ' 47' ' ' LYS . 18.5 p -122.83 177.1 5.63 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 112.562 0.578 . . . . 0.0 112.562 -177.384 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 . . . . . 0 C--O 1.25 1.114 0 CA-C-N 115.155 -0.929 . . . . 0.0 111.089 179.754 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 . . . . . 0 N--CA 1.476 0.873 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -85.48 147.73 26.32 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.181 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.2 p80 -158.59 146.93 18.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.054 0.454 . . . . 0.0 111.888 -178.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -119.64 137.94 26.12 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.705 -178.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -67.22 -83.94 0.01 OUTLIER 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 122.366 2.044 . . . . 0.0 110.967 176.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.524 ' HG2' ' H ' ' A' ' 7' ' ' LYS . 28.2 ttmt -108.92 -172.53 2.07 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 177.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.524 ' H ' ' HG2' ' A' ' 6' ' ' LYS . 17.4 ptpt -69.63 -57.06 5.63 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.132 0.789 . . . . 0.0 113.132 -176.326 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -101.52 23.18 11.5 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 121.307 0.575 . . . . 0.0 110.93 -177.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -101.21 33.9 2.73 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.754 -177.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -57.48 -76.66 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.336 177.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 65.0 mtt-85 56.63 35.52 26.24 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.495 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -71.24 -176.66 1.52 Allowed 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.447 178.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.426 ' H ' ' CD ' ' A' ' 13' ' ' GLU . 0.8 OUTLIER -79.58 -162.52 0.42 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.081 178.464 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 46.08 45.48 12.48 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 123.588 0.555 . . . . 0.0 111.065 -176.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -52.25 -46.85 65.95 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.188 0.518 . . . . 0.0 110.367 -179.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -142.83 149.31 38.43 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 176.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.472 HD23 ' HB2' ' A' ' 20' ' ' GLU . 18.9 tp -174.99 102.35 0.09 Allowed 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 177.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.436 HD12 ' H ' ' A' ' 18' ' ' LEU . 5.4 mp -67.58 -36.21 80.47 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.987 -175.177 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.59 HD11 ' CD1' ' A' ' 90' ' ' TYR . 20.2 mm -65.4 -32.81 59.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.198 176.678 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.472 ' HB2' HD23 ' A' ' 17' ' ' LEU . 9.6 tp10 -60.57 -50.63 72.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.547 177.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -62.71 -31.12 71.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.873 179.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.87 -45.18 36.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.52 0.676 . . . . 0.0 110.011 -179.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.46 -34.71 78.53 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.666 179.468 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -70.04 -45.24 67.56 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.554 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.62 -47.61 85.46 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.3 pt -64.35 -35.72 75.03 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.351 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.137 -179.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -59.98 -50.32 74.21 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.422 0.63 . . . . 0.0 109.328 177.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -65.55 -47.61 75.25 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.836 -178.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.409 ' O ' ' HG3' ' A' ' 32' ' ' GLN . . . -60.71 -43.49 99.02 Favored Glycine 0 C--O 1.222 -0.595 0 CA-C-N 115.92 -0.582 . . . . 0.0 113.049 -179.256 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -63.33 -40.18 96.6 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.239 0.542 . . . . 0.0 110.478 -178.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.438 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 20.6 t-80 -66.22 -48.58 70.1 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.893 -178.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -67.2 -28.53 68.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.265 179.136 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.622 ' O ' ' HG2' ' A' ' 37' ' ' GLN . 1.9 tm? -69.15 -49.35 57.69 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 178.061 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 31' ' ' HIS . 4.6 pp -65.27 -30.3 71.16 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.512 -178.544 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 92.8 t80 -67.0 -47.67 70.78 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.98 177.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.457 HD13 ' O ' ' A' ' 36' ' ' LEU . 2.3 tm? -60.75 -35.52 76.6 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.423 -179.395 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.622 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 13.6 mm-40 -58.88 -32.64 69.67 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.011 0.434 . . . . 0.0 110.88 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -71.4 -33.24 69.3 Favored 'General case' 0 C--O 1.246 0.903 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.566 178.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -71.28 -42.13 69.13 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.529 178.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.9 tp -52.5 -45.12 66.07 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.574 174.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -57.13 -39.58 75.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.055 177.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -67.02 -42.06 85.56 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.741 176.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.6 tp -56.54 -40.15 74.6 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.954 178.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.485 ' O ' ' HE3' ' A' ' 47' ' ' LYS . 18.6 m-80 -58.52 -36.74 74.32 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.085 0.469 . . . . 0.0 110.804 177.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -82.02 -46.39 14.01 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.773 -178.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -76.53 -35.76 58.1 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 -176.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.485 ' HE3' ' O ' ' A' ' 44' ' ' ASN . 34.2 mmtp 58.7 22.74 10.3 Favored 'General case' 0 N--CA 1.483 1.222 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.517 -177.106 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.9 t -69.08 121.44 16.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.669 -178.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.686 ' HD3' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -60.92 -45.19 95.67 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.915 179.406 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.525 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 9.1 pt-20 -68.04 -30.99 70.34 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.668 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 59.1 tp -68.52 -45.04 73.3 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 177.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -57.32 -44.65 84.36 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.278 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.714 ' O ' ' HG2' ' A' ' 57' ' ' ARG . 35.2 tt0 -63.26 -47.7 81.3 Favored 'General case' 0 N--CA 1.429 -1.505 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.11 -178.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.525 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 44.3 mtmt -63.08 -42.47 99.64 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.56 -179.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.411 HG23 HD11 ' A' ' 36' ' ' LEU . 64.5 mt -58.08 -45.46 88.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.978 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 15.5 tt -71.76 -30.31 37.34 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.046 178.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.714 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 10.2 mmt180 -67.12 -52.74 37.96 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.892 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -69.41 -33.43 72.99 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.472 -178.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 51.3 tp -63.38 -43.52 97.37 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -63.45 -48.84 76.06 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.247 -178.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 31.5 m -63.67 -38.22 81.71 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 C-N-CA 120.614 -0.434 . . . . 0.0 111.692 -177.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 89.1 t -71.53 -37.25 63.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 177.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.501 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 50.8 t -62.98 -42.77 99.93 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 178.48 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.7 -49.81 64.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.665 -177.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.439 ' HG3' HD12 ' A' ' 66' ' ' ILE . 23.1 ptp -61.04 -38.0 84.62 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.509 -179.418 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.439 HD12 ' HG3' ' A' ' 65' ' ' MET . 1.4 mp -66.66 -41.64 88.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.993 178.396 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.501 ' HG3' ' O ' ' A' ' 63' ' ' CYS . 44.1 mt-10 -64.31 -37.01 85.97 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 121.16 0.505 . . . . 0.0 110.669 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.78 -46.59 73.57 Favored Glycine 0 N--CA 1.443 -0.877 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.469 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.45 -42.26 79.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.898 -0.151 . . . . 0.0 110.955 -178.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.447 ' HG2' ' HA ' ' A' ' 67' ' ' GLU . 18.0 pt20 -64.11 -39.73 94.67 Favored 'General case' 0 C--O 1.217 -0.638 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.58 -178.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.96 -43.24 91.77 Favored Glycine 0 C--O 1.243 0.673 0 C-N-CA 121.129 -0.558 . . . . 0.0 112.194 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.14 -51.8 54.48 Favored 'General case' 0 C--O 1.244 0.778 0 CA-C-O 121.369 0.604 . . . . 0.0 109.807 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.63 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 34.0 tp -58.86 -42.94 90.57 Favored 'General case' 0 C--O 1.219 -0.53 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.158 179.545 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.457 ' OE2' HD11 ' A' ' 77' ' ' LEU . 5.9 mm-40 -53.99 -52.29 61.19 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 120.812 0.339 . . . . 0.0 111.475 179.501 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 -58.74 -38.29 78.06 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -73.51 -56.12 5.45 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.331 -179.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.63 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 2.9 pp -61.67 -28.07 69.13 Favored 'General case' 0 C--O 1.214 -0.768 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -178.314 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.597 ' N ' HD12 ' A' ' 77' ' ' LEU . 11.2 mptt -64.75 -43.84 92.01 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 121.398 0.618 . . . . 0.0 110.694 -177.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 80.2 mtm180 -78.76 -34.78 45.42 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.424 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.7 m -94.53 67.59 3.39 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.348 178.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.455 ' HB2' ' CE2' ' A' ' 90' ' ' TYR . 3.8 t70 -149.73 122.04 8.42 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 -176.304 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.559 ' O ' ' HB2' ' A' ' 83' ' ' ASN . 5.0 tt -165.76 93.83 0.57 Allowed 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 -178.408 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.559 ' HB2' ' O ' ' A' ' 82' ' ' LEU . 11.1 t-20 164.01 143.5 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.849 0 O-C-N 124.054 0.846 . . . . 0.0 110.063 -179.229 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 76.1 mt -63.05 -43.7 99.16 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 CA-C-O 120.817 0.341 . . . . 0.0 111.687 178.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.8 tt -69.55 -50.99 39.57 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.919 -0.401 . . . . 0.0 109.919 -177.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.493 ' HB2' ' HB3' ' A' ' 83' ' ' ASN . 0.7 OUTLIER -56.59 -39.5 73.64 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.015 178.565 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 83' ' ' ASN . 11.5 tpp180 -57.71 -46.85 83.82 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.541 0.686 . . . . 0.0 110.266 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -61.93 -42.67 99.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.963 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -63.43 -43.54 97.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.95 178.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.59 ' CD1' HD11 ' A' ' 19' ' ' ILE . 3.4 m-85 -55.06 -55.53 30.02 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.919 175.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.02 -42.1 79.78 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.574 -179.389 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -65.57 -48.3 72.85 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.256 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.9 -40.81 90.05 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.144 0.497 . . . . 0.0 110.892 178.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -61.34 -43.26 99.18 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.566 178.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.442 ' O ' HG13 ' A' ' 99' ' ' ILE . 79.9 m -58.42 -47.15 84.87 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.182 177.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 92.7 mt -69.84 -42.1 74.06 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -177.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.3 p -60.77 -41.94 96.47 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.381 0.61 . . . . 0.0 111.01 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -59.48 -45.44 91.66 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.717 178.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 95' ' ' THR . 79.1 mt -60.36 -43.18 93.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.716 178.121 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.407 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 67.9 tp -59.65 -50.89 72.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.588 -179.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.438 ' O ' ' HG2' ' A' ' 105' ' ' LYS . 4.4 mm? -58.99 -44.06 91.53 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.656 -178.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -59.18 -47.03 86.82 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.709 178.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -59.42 -38.54 80.9 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 110.455 -0.202 . . . . 0.0 110.455 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.57 HD23 HD23 ' A' ' 33' ' ' LEU . 95.0 mt -63.44 -53.68 48.44 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.908 0.385 . . . . 0.0 110.771 179.162 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.485 ' O ' ' HB3' ' A' ' 108' ' ' GLU . 1.0 OUTLIER -62.62 -32.74 73.81 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.855 -178.063 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -65.55 -38.38 89.44 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 176.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.558 ' O ' HG23 ' A' ' 111' ' ' VAL . 57.1 m -63.13 -45.3 92.61 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.229 178.347 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.485 ' HB3' ' O ' ' A' ' 105' ' ' LYS . 18.7 tt0 -49.74 -51.98 34.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.525 175.569 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 105' ' ' LYS . 62.8 mt-30 -59.26 -39.29 82.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 178.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.466 ' O ' ' HB3' ' A' ' 113' ' ' ASP . 3.2 tppp? -68.56 -39.03 81.21 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.124 0.488 . . . . 0.0 111.688 -178.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 107' ' ' THR . 97.8 t -60.53 -43.3 94.13 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.395 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 177.097 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -71.87 -21.31 61.68 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.598 177.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.466 ' HB3' ' O ' ' A' ' 110' ' ' LYS . 23.3 t70 -68.5 -35.75 77.95 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.958 -179.182 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.453 HD11 ' OD1' ' A' ' 44' ' ' ASN . 1.7 mp -70.77 122.49 22.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.072 0.463 . . . . 0.0 110.454 178.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -78.91 122.75 26.51 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.742 177.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 65.9 p -115.96 -173.64 2.39 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.765 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.477 ' HB2' ' HD2' ' A' ' 49' ' ' LYS . 52.1 mt-30 . . . . . 0 C--O 1.241 0.611 0 CA-C-O 118.688 -0.672 . . . . 0.0 110.321 178.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 . . . . . 0 N--CA 1.476 0.835 0 CA-C-O 121.161 0.505 . . . . 0.0 110.039 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -70.11 98.7 1.36 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.378 -176.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -104.14 94.02 5.15 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.474 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -60.92 153.5 64.84 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.809 175.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -59.18 171.09 2.49 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 123.179 2.586 . . . . 0.0 113.086 -179.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.01 145.0 48.89 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.586 -176.051 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.438 ' HB2' ' NZ ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -98.82 142.05 30.83 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 177.13 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -91.68 122.45 34.25 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -65.31 -26.84 68.24 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-O 121.042 0.449 . . . . 0.0 110.551 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -80.27 74.25 7.11 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-O 121.705 0.764 . . . . 0.0 110.932 179.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.5 tpt180 -132.5 94.65 3.46 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 114.849 -1.069 . . . . 0.0 108.178 177.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -116.55 157.36 25.39 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.516 -177.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.407 ' H ' ' HG2' ' A' ' 13' ' ' GLU . 5.5 pt-20 -72.35 111.8 7.86 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.931 0.872 . . . . 0.0 111.73 -178.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -129.14 18.44 6.0 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.92 -1.036 . . . . 0.0 108.693 177.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -55.92 -30.81 62.2 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 114.851 -1.068 . . . . 0.0 111.989 -177.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 32.6 m170 70.77 49.79 0.37 Allowed 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 177.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.525 ' HB2' ' CG ' ' A' ' 20' ' ' GLU . 3.9 mm? -110.34 169.32 8.82 Favored 'General case' 0 C--O 1.211 -0.952 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.438 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.2 mp -50.85 -66.8 0.32 Allowed 'General case' 0 C--O 1.243 0.733 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -176.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.583 HD11 ' CD1' ' A' ' 90' ' ' TYR . 28.3 mm -67.8 -33.84 64.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.066 -179.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.525 ' CG ' ' HB2' ' A' ' 17' ' ' LEU . 13.2 mm-40 -61.3 -38.4 86.67 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 120.878 0.37 . . . . 0.0 110.454 178.71 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' A' ' 17' ' ' LEU . 15.7 mm100 -71.27 -30.37 66.21 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 121.148 0.499 . . . . 0.0 111.01 179.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.61 -45.33 38.1 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 121.707 0.765 . . . . 0.0 109.469 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -62.76 -38.1 89.25 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-N 114.464 -1.243 . . . . 0.0 110.402 178.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -66.95 -44.37 80.73 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.436 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.29 -44.92 96.42 Favored 'General case' 0 C--N 1.334 -0.082 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.8 pt -67.86 -31.54 52.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.62 -178.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -67.44 -45.95 74.54 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 176.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -65.37 -44.83 86.36 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.269 -179.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.2 -40.93 94.49 Favored Glycine 0 C--O 1.221 -0.669 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.917 178.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -62.48 -40.47 96.79 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.276 0.56 . . . . 0.0 110.365 179.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.34 -51.16 64.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.107 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.33 -29.17 65.81 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.432 -178.326 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -68.05 -50.64 53.97 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 179.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 pp -66.7 -30.1 70.26 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.345 0.593 . . . . 0.0 110.137 -179.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -68.99 -56.93 6.29 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.504 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.3 tt -63.63 -33.6 75.97 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.745 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -59.98 -38.31 82.2 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 178.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -65.86 -43.94 86.91 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.483 176.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -56.94 -46.42 82.08 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.496 176.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -52.92 -46.13 67.94 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.831 177.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -58.31 -41.46 84.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.247 0.546 . . . . 0.0 109.908 178.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -66.16 -37.43 85.63 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.865 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.1 tp -65.5 -31.48 72.57 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-O 120.61 0.243 . . . . 0.0 110.491 179.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -59.1 -36.2 74.72 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 121.231 0.539 . . . . 0.0 110.6 178.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -89.73 -39.96 12.82 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.571 179.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.408 ' OD1' ' HB2' ' A' ' 48' ' ' SER . 6.4 t-20 -75.34 -36.41 61.04 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -174.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp 55.86 18.96 3.25 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 -178.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.408 ' HB2' ' OD1' ' A' ' 46' ' ' ASN . 26.5 t -69.38 126.13 28.82 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 179.145 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.568 ' HD3' ' HB2' ' A' ' 117' ' ' GLN . 12.5 pttt -59.68 -42.38 92.78 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.209 175.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -60.18 -46.34 90.03 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.651 178.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.9 tp -62.73 -39.42 94.03 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.183 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -60.17 -48.5 81.46 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.598 177.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.556 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 39.4 mm-40 -58.42 -47.86 82.55 Favored 'General case' 0 C--O 1.224 -0.245 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.709 -178.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -63.4 -41.13 98.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.049 -179.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 70.4 mt -64.04 -53.11 47.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.333 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 14.1 tt -66.29 -34.88 73.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.361 -178.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.556 ' HB2' ' O ' ' A' ' 53' ' ' GLU . 2.3 mpt_? -65.57 -44.81 85.55 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 120.63 0.252 . . . . 0.0 110.348 179.083 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -70.33 -37.48 74.71 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.683 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.7 tt -62.83 -41.87 99.5 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -59.89 -48.75 80.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.327 178.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 57' ' ' ARG . 78.6 t -60.52 -47.26 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-O 120.963 0.411 . . . . 0.0 110.91 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 86.0 t -64.6 -40.78 90.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.412 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 42.7 t -62.98 -42.69 99.91 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.84 -49.32 68.58 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 122.554 0.342 . . . . 0.0 111.528 -179.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.415 ' HG3' HD12 ' A' ' 66' ' ' ILE . 21.4 ptp -62.12 -36.07 80.64 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.511 -0.475 . . . . 0.0 110.24 -179.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.415 HD12 ' HG3' ' A' ' 65' ' ' MET . 1.4 mp -67.23 -42.87 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.659 177.518 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -62.69 -42.99 99.92 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.779 0.323 . . . . 0.0 110.957 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.02 -47.4 74.14 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.977 -0.63 . . . . 0.0 113.117 -178.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.94 -42.6 80.74 Favored 'General case' 0 N--CA 1.451 -0.423 0 O-C-N 123.092 -0.064 . . . . 0.0 110.978 -178.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -63.04 -38.95 93.22 Favored 'General case' 0 C--O 1.221 -0.399 0 C-N-CA 120.524 -0.471 . . . . 0.0 110.695 -178.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -70.17 -45.27 56.78 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.402 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.98 -54.91 20.2 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-O 120.939 0.399 . . . . 0.0 110.633 -177.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.658 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 47.9 tp -54.89 -45.42 74.68 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.453 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.671 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 6.5 mm-40 -55.12 -53.66 53.13 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-O 120.654 0.264 . . . . 0.0 111.593 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 75' ' ' ARG . 55.7 mtt180 -57.45 -42.2 82.04 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -177.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -73.1 -52.15 15.36 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.84 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.658 ' HG ' ' O ' ' A' ' 73' ' ' LEU . 2.9 pp -59.03 -21.79 59.66 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -179.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.671 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 59.2 mmtt -66.53 -15.84 63.69 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 120.687 0.28 . . . . 0.0 111.389 -178.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -66.84 -26.67 67.03 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.254 179.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 15.2 m -64.79 131.49 46.95 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.179 179.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -59.39 147.61 35.66 Favored 'General case' 0 C--O 1.243 0.714 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.407 -179.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.93 63.62 1.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 -176.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -66.33 163.96 17.02 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.347 178.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.424 HD12 ' H ' ' A' ' 84' ' ' ILE . 2.7 mp -57.28 -53.71 40.09 Favored 'Isoleucine or valine' 0 C--O 1.247 0.947 0 CA-C-O 120.727 0.298 . . . . 0.0 111.498 -176.207 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 54.8 tp -73.09 -47.44 44.44 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.881 -178.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -57.02 -44.19 82.6 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.646 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -61.01 -42.52 98.62 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.183 0.516 . . . . 0.0 110.286 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -62.45 -50.1 72.82 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.781 178.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -60.78 -51.72 68.11 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.029 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.583 ' CD1' HD11 ' A' ' 19' ' ' ILE . 3.3 m-30 -55.19 -53.28 58.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.645 -179.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -56.29 -46.69 79.67 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.135 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -67.28 -38.01 84.37 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.425 -177.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.79 -48.9 75.02 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 121.193 0.521 . . . . 0.0 109.853 178.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.419 ' HG3' ' HZ2' ' A' ' 98' ' ' LYS . 6.3 tp-100 -59.91 -38.45 82.36 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.111 178.358 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.481 ' O ' HG13 ' A' ' 99' ' ' ILE . 99.3 m -61.89 -49.05 77.74 Favored 'General case' 0 C--O 1.245 0.85 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.101 177.426 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 89.7 mt -70.03 -35.47 74.33 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.726 0.298 . . . . 0.0 110.71 -178.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.419 ' O ' HD23 ' A' ' 101' ' ' LEU . 22.9 t -57.73 -47.43 82.44 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.195 179.092 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.591 ' O ' ' HG3' ' A' ' 102' ' ' LYS . 51.1 mttp -64.11 -34.62 78.47 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.071 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 95' ' ' THR . 84.5 mt -63.41 -45.62 97.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-O 121.06 0.457 . . . . 0.0 110.257 179.265 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -60.52 -46.01 91.72 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.449 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 97' ' ' SER . 4.3 mm? -61.14 -41.68 97.18 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.674 -179.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.591 ' HG3' ' O ' ' A' ' 98' ' ' LYS . 9.3 mtmp? -61.04 -46.28 91.34 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.699 -0.401 . . . . 0.0 110.322 178.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.408 ' O ' ' HB3' ' A' ' 106' ' ' GLU . 1.4 m-20 -62.45 -36.49 82.6 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.776 178.318 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 37.3 tp -64.54 -46.68 81.8 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 121.228 0.537 . . . . 0.0 110.413 178.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -61.86 -26.27 68.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 177.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.557 ' O ' ' HG2' ' A' ' 110' ' ' LYS . 10.0 tp10 -66.7 -42.72 85.99 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 175.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 8.2 p -68.37 -40.63 81.36 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.582 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -52.33 -47.41 66.04 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.338 0.59 . . . . 0.0 110.552 174.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.44 ' HA ' ' HE3' ' A' ' 112' ' ' LYS . 29.9 tt0 -61.35 -40.07 92.93 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.931 178.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.557 ' HG2' ' O ' ' A' ' 106' ' ' GLU . 74.9 mmtt -64.54 -48.78 73.8 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.966 0.413 . . . . 0.0 111.898 -179.062 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.6 p -62.52 -40.82 89.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.276 -178.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.44 ' HE3' ' HA ' ' A' ' 109' ' ' GLN . 16.4 pttp -73.56 -15.22 61.29 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 120.971 0.415 . . . . 0.0 110.93 177.658 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -79.88 -31.22 40.31 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.815 179.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.7 mp -74.49 115.37 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-O 121.131 0.491 . . . . 0.0 110.658 178.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -73.91 123.88 25.1 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.61 177.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 24.9 p -114.65 -173.65 2.34 Favored 'General case' 0 C--N 1.305 -1.348 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.208 178.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.568 ' HB2' ' HD3' ' A' ' 49' ' ' LYS . 76.5 mt-30 . . . . . 0 C--O 1.244 0.811 0 CA-C-O 118.384 -0.817 . . . . 0.0 110.417 -178.545 . . . . . . . . 1 1 . 1 stop_ save_