data_2e3l_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 2e3l _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.461 ' CD2' ' HG3' ' A' ' 67' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 8' ' ' LEU . 12.2 ttp180 -37.87 -54.24 1.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -58.58 -51.42 69.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.355 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -44.9 -49.58 10.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 63.0 t -56.69 -40.74 71.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 0.0 109.256 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.477 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 3.3 mt-10 -70.17 -50.31 41.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -54.24 -28.34 40.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 24.7 t80 -78.42 -63.64 1.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.429 ' CD1' ' HE1' ' A' ' 55' ' ' PHE . 4.0 m-85 -36.26 -38.33 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 70.8 m -64.69 -61.93 1.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 108.312 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -40.26 -33.51 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.979 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.8 m -67.42 -63.35 1.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 108.324 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.586 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 4.7 t80 -48.37 -40.71 26.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.51 -33.84 82.63 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.485 1.115 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -75.86 -26.41 57.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.781 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.81 -44.14 17.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.0 mt -57.86 -33.58 68.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.26 21.42 10.81 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.0 t -98.83 176.4 5.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 0.0 110.375 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 m -116.16 19.91 14.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.395 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.0 m -132.42 -172.52 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 67.9 mtp -100.6 135.72 41.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.536 HG12 ' CE2' ' A' ' 20' ' ' TYR . 87.1 t -113.55 141.03 25.26 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.436 ' HD2' ' CG1' ' A' ' 30' ' ' VAL . 18.1 Cg_endo -75.02 95.31 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.505 1.792 . . . . 0.0 110.982 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.496 ' O ' ' CD1' ' A' ' 34' ' ' TYR . 44.1 t -40.46 114.27 1.05 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.586 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -75.03 80.65 2.39 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.458 1.768 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.496 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 94.6 m-85 -57.94 -64.51 0.88 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.148 . . . . 0.0 110.994 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -38.22 -38.33 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 110.332 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.559 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 61.4 mttt -69.02 -67.11 0.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.577 ' CE ' ' CZ ' ' A' ' 78' ' ' PHE . 81.0 mtp -50.91 -47.09 60.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 26.4 mt -55.36 -53.13 60.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -57.64 -53.55 56.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.277 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -134.88 127.28 30.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -95.15 17.84 13.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.22 32.27 1.76 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.961 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 84' ' ' PHE . . . -129.48 -53.99 1.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.574 HG13 ' CD2' ' A' ' 78' ' ' PHE . 6.4 t -132.72 140.54 47.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.2 t -110.0 150.92 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.25 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 78.5 t -112.68 135.39 52.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -144.29 126.58 15.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.19 33.97 2.24 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.553 1.158 . . . . 0.0 111.022 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.416 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 8.4 mt -105.34 164.22 15.52 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.469 0.747 . . . . 0.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.416 ' HD2' ' HB3' ' A' ' 49' ' ' LEU . 18.2 Cg_endo -75.02 154.55 42.46 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.498 1.788 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -54.08 131.89 41.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 58.53 50.46 66.74 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.449 1.093 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 89.7 t -148.64 125.33 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 0.777 . . . . 0.0 109.311 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.402 ' O ' ' OH ' ' A' ' 61' ' ' TYR . . . -93.43 175.04 6.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.26 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.651 ' CD2' ' O ' ' A' ' 55' ' ' PHE . 37.7 t80 -86.01 14.1 6.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -47.68 162.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.27 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.434 ' CE1' ' OE2' ' A' ' 13' ' ' GLU . 1.7 t-80 -42.0 144.15 0.9 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.61 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.611 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -75.04 -31.14 6.39 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.522 1.801 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.7 -23.93 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.345 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -85.15 -48.7 8.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.611 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.3 m-30 -39.19 135.2 1.01 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.434 ' C ' ' N ' ' A' ' 64' ' ' ALA . 1.6 m-20 -70.0 146.89 50.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.6 tp -39.97 -30.36 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.261 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.434 ' N ' ' C ' ' A' ' 62' ' ' ASP . . . -72.52 -57.0 4.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 78.1 m -53.13 -50.61 64.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 110.381 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 46.8 mt -47.26 -49.16 24.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.461 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -68.47 -30.9 69.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 51.9 t90 -64.43 -56.38 14.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 107.974 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.52 ' CD1' ' CE2' ' A' ' 61' ' ' TYR . 43.0 mt -48.77 -45.74 15.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.407 ' CD1' HD21 ' A' ' 8' ' ' LEU . 61.5 mt -66.14 -39.42 89.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.88 -10.62 60.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 110.271 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -141.89 40.4 1.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 11.0 pttp -81.04 -35.27 32.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.581 1.175 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.75 -19.1 9.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -92.84 -24.21 23.6 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.538 1.149 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 41.9 mt -72.3 121.5 22.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 m -141.32 135.3 30.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 110.04 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.577 ' CZ ' ' CE ' ' A' ' 37' ' ' MET . 0.2 OUTLIER -90.05 105.05 17.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.417 HD13 ' N ' ' A' ' 79' ' ' ILE . 5.1 mm -82.57 92.97 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.514 HD12 ' CG2' ' A' ' 44' ' ' VAL . 1.0 OUTLIER -69.82 142.78 15.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -123.99 -44.0 2.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.61 157.24 10.81 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 110.266 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 177.98 7.87 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.499 1.789 . . . . 0.0 110.95 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 44.9 m-85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.411 ' CG ' HD12 ' A' ' 66' ' ' LEU . 12.8 mtm180 -41.92 -47.96 4.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.283 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -56.4 -51.77 67.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -47.69 -44.39 27.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.466 ' CG1' ' CE2' ' A' ' 16' ' ' PHE . 53.8 t -66.39 -41.63 89.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.463 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 3.9 mm-40 -65.95 -36.2 82.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.92 -24.34 66.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.56 ' CE2' ' HB2' ' A' ' 73' ' ' LYS . 70.8 t80 -84.26 -63.85 1.27 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.466 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 3.9 m-85 -36.01 -33.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.962 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 15' ' ' TYR . 76.4 m -69.64 -59.41 2.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 108.317 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.431 ' N ' ' O ' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -43.13 -35.19 1.26 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.949 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.5 m -64.63 -66.42 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 108.291 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.584 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 3.7 t80 -46.8 -35.33 6.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.37 -38.04 58.59 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.535 1.147 . . . . 0.0 111.047 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.4 mttt -70.28 -24.56 63.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.86 -45.24 12.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.56 HD12 ' CD2' ' A' ' 20' ' ' TYR . 4.9 mt -60.12 -26.4 66.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.565 1.166 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.21 32.35 8.95 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.547 1.154 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.1 t -110.12 153.51 24.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 110.369 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.6 m -94.82 23.23 5.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.413 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.6 m -133.97 -173.79 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 76.3 mtp -99.94 131.75 45.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.975 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.553 HG13 ' CD2' ' A' ' 20' ' ' TYR . 53.4 t -109.48 136.05 20.27 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 101.61 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.499 1.789 . . . . 0.0 110.994 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.2 t -48.41 115.71 4.46 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.584 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.4 Cg_endo -74.96 83.09 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.504 1.792 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.421 ' O ' ' C ' ' A' ' 35' ' ' GLU . 76.9 m-85 -58.44 -66.58 0.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -36.99 -41.1 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 110.349 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.568 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 26.9 mttt -64.78 -68.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.448 ' HE3' ' CE2' ' A' ' 78' ' ' PHE . 66.2 mtp -50.16 -46.14 53.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.9 mt -55.03 -38.92 68.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.4 mtt-85 -75.05 -52.47 10.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.316 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -127.98 118.91 24.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -93.87 19.01 9.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.65 25.9 7.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.988 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -114.88 -67.18 1.01 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.574 HG12 ' CD2' ' A' ' 78' ' ' PHE . 10.8 t -121.21 144.11 31.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.7 t -108.94 151.98 11.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 73.5 t -111.94 137.03 46.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -144.11 128.45 17.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.74 30.8 3.37 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.471 1.107 . . . . 0.0 110.956 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.418 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 7.6 mt -102.59 165.08 14.38 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 109.333 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.418 ' HD2' ' HB3' ' A' ' 49' ' ' LEU . 18.4 Cg_endo -75.03 176.66 9.63 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.528 1.804 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.474 ' O ' ' CG2' ' A' ' 53' ' ' VAL . 3.0 tt0 -67.34 145.63 54.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 40.24 47.74 3.57 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.547 1.154 . . . . 0.0 110.958 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.474 ' CG2' ' O ' ' A' ' 51' ' ' GLU . 85.8 t -136.73 139.72 44.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.414 ' O ' ' OH ' ' A' ' 61' ' ' TYR . . . -106.85 -179.55 3.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.655 ' CD2' ' O ' ' A' ' 55' ' ' PHE . 37.3 t80 -92.59 16.17 12.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.958 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.49 ' HG3' ' CE1' ' A' ' 61' ' ' TYR . 16.4 pt20 -47.08 173.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.531 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.5 t-80 -55.12 147.4 35.07 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.578 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.613 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -75.01 -32.44 5.36 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.473 1.775 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.88 -22.32 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -87.6 -51.9 5.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.613 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 22.1 m-30 -37.52 140.73 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -77.2 153.79 33.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.1 tp -39.34 -50.96 2.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.35 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 68' ' ' TRP . . . -54.2 -59.96 3.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 66.3 m -50.48 -54.97 18.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.37 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.411 HD12 ' CG ' ' A' ' 9' ' ' ARG . 63.9 mt -49.43 -50.07 42.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -28.71 68.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.446 ' N ' ' O ' ' A' ' 64' ' ' ALA . 70.2 t90 -67.69 -61.19 2.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 108.024 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.455 ' O ' ' N ' ' A' ' 73' ' ' LYS . 61.8 mt -42.61 -49.0 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 87.5 mt -62.8 -42.45 99.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 68' ' ' TRP . 0.1 OUTLIER -67.17 -16.32 64.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 110.317 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -138.7 44.77 2.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.56 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . 1.8 ptmm? -79.75 -42.73 23.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.1 -23.81 3.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.303 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.5 -25.52 42.6 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 73' ' ' LYS . 38.4 mt -72.48 125.02 30.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.2 p -143.09 140.57 30.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.984 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.574 ' CD2' HG12 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -97.18 110.19 22.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 110.989 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.406 HD13 ' N ' ' A' ' 79' ' ' ILE . 5.4 mm -85.33 91.03 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -66.98 140.41 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -125.62 -47.03 1.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.241 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.9 ptt180 -166.4 156.18 10.56 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.326 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -177.33 3.39 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.517 1.798 . . . . 0.0 111.009 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 42.8 m-85 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.465 ' CD ' ' HA ' ' A' ' 59' ' ' GLU . 2.4 mtm105 -44.99 -41.36 7.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 13' ' ' GLU . 4.0 mmmt -74.88 -51.64 13.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -40.37 -40.77 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 69.1 t -68.24 -50.03 61.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.237 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.466 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 1.8 mm-40 -61.19 -28.23 68.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 110.29 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -71.77 -30.13 65.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.52 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 60.2 t80 -79.22 -62.19 1.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.974 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' A' ' 15' ' ' TYR . 5.1 m-85 -36.14 -41.93 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.105 . . . . 0.0 110.982 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 75.8 m -61.47 -58.26 8.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 108.339 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.412 ' N ' ' O ' ' A' ' 15' ' ' TYR . 5.9 t80 -45.75 -41.39 10.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 13.2 m -59.2 -64.21 1.02 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 108.271 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.572 ' CD2' HD12 ' A' ' 24' ' ' LEU . 4.0 t80 -50.19 -40.72 47.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.63 -36.44 87.9 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.535 1.147 . . . . 0.0 110.955 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -72.89 -25.97 61.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 0.751 . . . . 0.0 109.268 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.59 -45.45 14.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.572 HD12 ' CD2' ' A' ' 20' ' ' TYR . 4.6 mt -58.7 -25.36 62.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.84 29.19 12.13 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.8 t -105.87 152.93 22.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 0.779 . . . . 0.0 110.374 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.1 m -94.26 23.77 4.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 110.381 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 18.5 m -138.74 -177.02 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 65.5 mtp -94.25 135.52 35.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.082 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.473 HG13 ' CD1' ' A' ' 24' ' ' LEU . 48.2 t -113.72 137.99 22.48 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 105.7 2.13 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.496 1.788 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 52.6 t -52.56 116.18 8.35 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.565 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -75.03 81.24 2.26 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.443 1.76 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 35' ' ' GLU . 73.6 m-85 -59.03 -64.57 0.89 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.15 . . . . 0.0 111.027 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 34' ' ' TYR . 3.6 tt0 -38.28 -37.32 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.568 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 10.3 mtpt -68.82 -69.17 0.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.449 ' CE ' ' CZ ' ' A' ' 78' ' ' PHE . 66.4 mtp -49.95 -37.64 32.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.1 mt -63.66 -49.02 74.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.0 mtt180 -64.33 -49.81 70.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.357 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -132.43 122.7 25.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -95.4 19.52 10.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.357 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.4 32.4 3.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 110.027 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -120.9 -57.54 1.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.575 HG12 ' CD2' ' A' ' 78' ' ' PHE . 14.2 t -132.93 149.17 31.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.251 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.405 HG12 ' N ' ' A' ' 46' ' ' VAL . 21.4 t -113.0 147.23 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.422 HG13 ' CD1' ' A' ' 49' ' ' LEU . 61.6 t -106.54 137.12 38.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.35 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -143.63 129.05 18.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.28 30.9 3.7 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.507 1.129 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.422 ' CD1' HG13 ' A' ' 46' ' ' VAL . 7.6 mt -103.24 165.26 13.9 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.772 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.467 ' HG2' ' CG1' ' A' ' 53' ' ' VAL . 18.4 Cg_endo -75.0 172.45 16.34 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.512 1.796 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.49 ' O ' ' CG2' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -62.96 145.43 55.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 39.1 47.45 2.57 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 51' ' ' GLU . 95.5 t -136.78 129.22 44.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.548 0.793 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -98.38 176.96 5.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.654 ' CD2' ' O ' ' A' ' 55' ' ' PHE . 42.8 t80 -89.41 14.5 11.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.951 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' HIS . 14.6 pt20 -49.74 162.16 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 110.305 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 56' ' ' GLN . 1.7 t-80 -40.11 142.87 0.66 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.596 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.609 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -75.02 -29.05 8.59 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.501 1.79 . . . . 0.0 110.972 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.465 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -49.02 -22.19 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.332 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 61' ' ' TYR . 54.4 m-80 -86.99 -49.39 7.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.609 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.5 m-30 -37.33 148.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 63' ' ' LEU . 0.8 OUTLIER -83.69 149.36 26.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.434 ' CD1' ' HE2' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -39.95 -41.29 1.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.35 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.19 -53.19 53.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 62' ' ' ASP . 80.8 m -55.19 -50.35 69.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.418 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 57.7 mt -52.18 -50.93 60.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.434 ' HE2' ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -64.26 -30.75 71.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.574 1.171 . . . . 0.0 109.311 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.448 ' O ' ' N ' ' A' ' 71' ' ' GLU . 73.7 t90 -66.35 -62.95 1.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 108.001 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' ' 73' ' ' LYS . 46.2 mt -41.57 -49.16 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.51 -42.57 99.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 68' ' ' TRP . 0.7 OUTLIER -68.69 -15.94 63.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 68' ' ' TRP . 4.3 m-80 -138.0 46.67 2.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 0.8 OUTLIER -82.03 -42.19 19.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.83 -23.84 3.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.82 -25.91 39.89 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 73' ' ' LYS . 38.0 mt -72.19 125.16 30.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 0.751 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 m -143.6 137.02 28.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.971 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.575 ' CD2' HG12 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -92.73 106.55 18.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 111.013 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.41 HD13 ' N ' ' A' ' 79' ' ' ILE . 6.2 mm -85.05 88.93 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.514 HD11 ' CG2' ' A' ' 44' ' ' VAL . 2.9 mm -58.53 152.66 3.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -136.14 -47.31 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -166.48 155.96 10.3 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 174.55 12.6 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.485 1.781 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 59.2 m-85 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 110.978 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.479 ' CZ ' ' HB2' ' A' ' 9' ' ' ARG . 1.2 ttm105 -40.81 -39.12 1.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -76.35 -51.43 11.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -42.84 -52.24 5.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 72.7 t -53.76 -40.42 43.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.46 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 1.8 mm-40 -71.78 -35.27 69.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.156 . . . . 0.0 110.337 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.33 -16.04 63.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 67.0 t80 -92.31 -63.91 1.18 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 111.043 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.444 ' CD1' ' HE1' ' A' ' 55' ' ' PHE . 5.6 m-85 -35.86 -34.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.433 ' N ' ' O ' ' A' ' 15' ' ' TYR . 83.3 m -67.29 -61.58 1.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 108.318 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -41.18 -39.51 1.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.8 m -59.54 -64.58 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 108.276 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.583 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 4.8 t80 -47.89 -35.76 11.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 111.016 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.33 -33.66 61.42 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.2 mtpt -76.29 -26.04 55.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.759 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.434 ' HB3' ' CG1' ' A' ' 80' ' ' ILE . . . -82.65 -45.29 14.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.576 HD13 ' CD2' ' A' ' 20' ' ' TYR . 5.3 mt -57.52 -28.7 63.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.92 -5.4 39.61 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.5 t -74.7 178.8 5.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 0.79 . . . . 0.0 110.392 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 39.2 m -123.11 19.24 9.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.36 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.1 m -125.7 -175.4 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 0.0 109.254 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 68.1 mtp -94.75 122.83 37.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.947 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.483 ' CG1' ' CD2' ' A' ' 20' ' ' TYR . 43.5 t -105.41 136.91 19.16 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 103.02 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.483 1.781 . . . . 0.0 110.992 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.471 ' O ' ' CD1' ' A' ' 34' ' ' TYR . 44.8 t -49.05 118.08 7.16 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.583 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -75.01 78.51 2.88 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.495 1.787 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.471 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 97.4 m-85 -54.01 -64.52 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 111.051 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -37.92 -40.93 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.341 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.547 ' HB3' ' CD2' ' A' ' 84' ' ' PHE . 14.6 mttm -68.22 -69.12 0.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.52 ' CE ' ' CZ ' ' A' ' 78' ' ' PHE . 65.1 mtp -46.55 -44.54 18.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.1 mt -58.1 -49.25 77.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.265 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.1 mtt180 -64.37 -53.54 47.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -131.42 125.26 32.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -96.49 15.91 20.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 81.2 p -92.77 25.54 3.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.996 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -114.89 -60.02 1.94 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.569 HG13 ' CD2' ' A' ' 78' ' ' PHE . 12.0 t -133.02 149.11 31.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.2 t -113.79 153.63 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 78.3 t -113.03 136.19 50.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -144.38 124.59 13.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.263 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.69 30.47 2.59 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.123 . . . . 0.0 110.995 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.416 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 7.6 mt -100.89 165.03 14.98 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.528 0.781 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.416 ' HD2' ' HB3' ' A' ' 49' ' ' LEU . 18.5 Cg_endo -74.96 156.34 43.14 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.521 1.8 . . . . 0.0 111.02 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.63 130.07 45.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.288 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 63.71 49.45 68.62 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.542 1.151 . . . . 0.0 110.971 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 95.0 t -149.8 137.37 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.417 ' O ' ' OH ' ' A' ' 61' ' ' TYR . . . -104.41 176.69 5.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.645 ' CD2' ' O ' ' A' ' 55' ' ' PHE . 32.4 t80 -88.38 13.81 10.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -48.28 173.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.253 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.445 ' ND1' ' OE2' ' A' ' 59' ' ' GLU . 1.7 t-80 -51.06 142.78 17.3 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.616 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.605 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.97 -29.54 8.17 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.526 1.803 . . . . 0.0 111.045 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.445 ' OE2' ' ND1' ' A' ' 57' ' ' HIS . 11.8 pt-20 -48.44 -22.64 0.75 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 61' ' ' TYR . 42.1 m-80 -87.97 -48.99 7.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.605 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.4 m-30 -36.81 141.8 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 111.027 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.58 149.43 36.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.432 HD12 ' CD ' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -40.49 -40.34 1.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.2 -53.34 50.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 99.5 m -55.57 -51.28 67.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.429 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 45.6 mt -50.19 -49.96 50.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.081 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.432 ' CD ' HD12 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -66.19 -35.7 81.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.279 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.454 ' O ' ' N ' ' A' ' 72' ' ' ASN . 63.0 t90 -62.3 -57.89 9.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 108.007 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.482 ' CD1' ' CD2' ' A' ' 61' ' ' TYR . 50.5 mt -43.28 -54.08 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 73.4 mt -60.33 -39.21 86.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.61 -10.68 59.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 68' ' ' TRP . 4.0 m-80 -140.89 42.25 1.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 0.4 OUTLIER -83.29 -36.65 24.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.45 -28.45 30.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -83.44 -26.55 42.78 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.131 . . . . 0.0 110.952 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.476 ' CD1' HG23 ' A' ' 69' ' ' ILE . 66.6 mt -72.33 119.61 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 0.748 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 m -138.06 135.74 36.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.997 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.569 ' CD2' HG13 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -92.07 108.25 19.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.559 1.162 . . . . 0.0 111.04 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.423 HD11 ' N ' ' A' ' 79' ' ' ILE . 4.4 mm -81.83 90.46 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.434 ' CG1' ' HB3' ' A' ' 23' ' ' ALA . 0.3 OUTLIER -68.06 139.98 19.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -126.21 -44.4 1.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.268 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -168.11 156.69 8.3 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.333 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -178.23 4.02 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.507 1.793 . . . . 0.0 111.028 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.547 ' CD2' ' HB3' ' A' ' 36' ' ' LYS . 47.3 m-85 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 9' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.472 ' HD2' ' CB ' ' A' ' 59' ' ' GLU . 18.4 ttp180 -38.44 -50.36 1.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 13' ' ' GLU . 2.7 tmtm? -58.02 -56.77 17.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -41.17 -50.81 3.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.407 ' CG1' ' CE2' ' A' ' 16' ' ' PHE . 75.4 t -56.89 -43.95 81.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.471 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 2.2 mt-10 -66.21 -35.9 81.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -71.66 -25.8 62.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.329 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 40.2 t80 -79.15 -64.23 1.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.447 ' CD1' ' HE1' ' A' ' 55' ' ' PHE . 4.7 m-85 -36.78 -34.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 99.8 m -65.31 -66.04 0.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 108.296 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -37.74 -38.28 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.3 m -61.26 -61.93 2.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 108.297 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.586 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 3.4 t80 -51.25 -43.95 61.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.98 -36.05 92.78 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.7 mttt -73.0 -25.78 61.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 0.765 . . . . 0.0 109.292 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.09 -40.49 15.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.571 HD11 ' CD2' ' A' ' 20' ' ' TYR . 11.6 mt -58.11 -33.77 69.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.27 21.29 10.92 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.447 1.092 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.7 t -103.1 -178.47 3.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.757 . . . . 0.0 110.438 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.2 p -120.66 19.47 11.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.425 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 15.8 m -129.56 -175.36 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 88.7 mtp -98.34 132.02 44.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.511 HG13 ' CD2' ' A' ' 20' ' ' TYR . 93.9 t -111.35 140.16 22.7 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 96.39 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.516 1.798 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.437 ' O ' ' CD1' ' A' ' 34' ' ' TYR . 48.1 t -41.79 115.18 1.42 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.586 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -74.94 87.27 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.453 1.765 . . . . 0.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.437 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 96.0 m-85 -63.18 -66.91 0.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 111.043 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 34' ' ' TYR . 4.6 tt0 -35.35 -43.82 0.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.565 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 37.3 mttt -63.04 -69.44 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.486 ' HE1' ' CE2' ' A' ' 78' ' ' PHE . 78.5 mtp -48.65 -37.24 17.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.5 mt -64.9 -42.33 94.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.359 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -70.06 -50.15 43.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 110.33 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -135.16 118.7 16.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -91.51 18.08 7.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.95 24.69 5.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.997 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -114.41 -55.86 2.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.571 HG13 ' CD2' ' A' ' 78' ' ' PHE . 6.1 t -132.94 150.02 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.7 t -117.03 148.45 19.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.414 HG13 ' CD1' ' A' ' 49' ' ' LEU . 74.5 t -107.62 138.25 34.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -145.63 127.86 15.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.9 29.98 3.62 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.558 1.161 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.424 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 8.7 mt -101.4 165.29 14.36 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.752 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.424 ' HD2' ' HB3' ' A' ' 49' ' ' LEU . 18.3 Cg_endo -74.99 173.15 15.0 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 0.0 111.015 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.455 ' O ' ' CG2' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -65.44 145.22 56.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.307 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 41.8 45.77 4.77 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.513 1.133 . . . . 0.0 110.931 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.455 ' CG2' ' O ' ' A' ' 51' ' ' GLU . 93.8 t -136.73 135.77 48.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 0.757 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.412 ' O ' ' OH ' ' A' ' 61' ' ' TYR . . . -104.44 178.53 4.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.646 ' CD2' ' O ' ' A' ' 55' ' ' PHE . 38.6 t80 -90.23 15.26 10.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.496 ' HG3' ' CE1' ' A' ' 61' ' ' TYR . 11.5 pt20 -47.4 170.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.514 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.6 t-80 -50.93 146.85 9.69 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.641 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.609 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -75.01 -30.87 6.69 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.539 1.81 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.472 ' CB ' ' HD2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -50.14 -21.4 1.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -88.09 -51.19 5.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.255 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.609 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 22.0 m-30 -37.46 140.56 0.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.968 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 65' ' ' THR . 0.4 OUTLIER -74.14 146.97 43.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 62' ' ' ASP . 5.9 tp -39.63 -35.14 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.63 -53.49 22.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 62' ' ' ASP . 37.8 m -55.81 -50.49 70.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.422 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 40.8 mt -49.13 -49.65 41.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.48 -32.97 74.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.4 ' O ' ' N ' ' A' ' 72' ' ' ASN . 62.3 t90 -63.69 -58.56 6.51 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.522 ' CD1' ' CD2' ' A' ' 61' ' ' TYR . 76.4 mt -44.66 -51.77 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.314 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 77.6 mt -60.61 -42.55 97.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.85 -16.76 64.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 68' ' ' TRP . 4.3 m-80 -137.91 46.28 2.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 1.0 OUTLIER -83.31 -42.51 17.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.59 -23.31 4.09 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.142 . . . . 0.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -85.03 -27.21 34.67 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.416 ' N ' ' O ' ' A' ' 73' ' ' LYS . 57.7 mt -72.48 123.34 26.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 0.755 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.9 p -140.6 139.69 34.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.01 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.571 ' CD2' HG13 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -96.08 109.04 21.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 111.042 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.406 ' N ' HD13 ' A' ' 79' ' ' ILE . 4.4 mm -83.56 89.9 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.24 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.502 HD12 ' CG2' ' A' ' 44' ' ' VAL . 0.5 OUTLIER -65.75 146.74 13.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.269 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -131.81 -48.41 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.238 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -163.6 157.41 16.56 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 110.315 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -177.63 3.61 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.532 1.806 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.565 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 23.2 m-85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.467 ' CD2' ' HG3' ' A' ' 67' ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -41.85 -50.92 4.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.26 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 13' ' ' GLU . 0.7 OUTLIER -67.03 -49.3 65.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -45.58 -51.27 12.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.401 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 45.8 t -55.09 -35.11 33.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.448 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 2.4 mm-40 -76.34 -42.65 44.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 110.274 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.27 -15.83 28.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.525 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 76.6 t80 -90.45 -66.18 0.95 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.977 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.427 ' CD1' ' HE1' ' A' ' 55' ' ' PHE . 6.4 m-85 -35.91 -36.52 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 83.9 m -63.75 -61.67 2.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 108.307 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -43.92 -35.69 2.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 12.9 m -63.74 -61.38 2.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 108.257 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.597 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 3.3 t80 -51.87 -37.05 50.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.38 -32.41 65.06 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.48 1.113 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -77.43 -26.74 51.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 0.736 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.58 -44.77 15.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.522 HD12 ' CD2' ' A' ' 20' ' ' TYR . 4.9 mt -57.82 -33.19 68.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.42 24.61 10.03 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.524 1.14 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.8 t -100.46 172.65 6.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 0.759 . . . . 0.0 110.406 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 39.3 m -111.93 19.66 17.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.429 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 11.8 m -132.98 -173.86 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 78.0 mtp -98.64 133.05 43.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.551 HG12 ' CD2' ' A' ' 20' ' ' TYR . 65.3 t -114.59 136.74 22.45 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 18.3 Cg_endo -75.0 107.69 2.54 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.508 1.794 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 43.7 t -51.59 116.87 8.49 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.597 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -74.98 82.49 1.99 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.51 1.795 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.406 ' O ' ' C ' ' A' ' 35' ' ' GLU . 67.6 m-85 -59.16 -65.22 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 34' ' ' TYR . 1.4 tp10 -38.27 -37.55 0.29 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.566 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 17.9 mtpt -69.58 -67.48 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.514 ' HE2' ' CE2' ' A' ' 78' ' ' PHE . 72.4 mtp -50.43 -41.97 53.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.976 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 26.6 mt -59.62 -39.88 85.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -74.26 -53.77 9.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.319 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -127.36 120.04 27.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -93.64 18.1 10.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.5 m -99.56 27.23 5.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.039 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -116.21 -55.67 2.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.572 HG13 ' CD2' ' A' ' 78' ' ' PHE . 9.2 t -136.19 149.73 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 24.7 t -116.14 145.99 21.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.339 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.431 HG13 ' CD1' ' A' ' 49' ' ' LEU . 72.6 t -104.84 136.57 37.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -143.68 124.33 14.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.266 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.4 ' O ' ' CG1' ' A' ' 76' ' ' ILE . . . 113.71 29.21 2.95 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.431 ' CD1' HG13 ' A' ' 46' ' ' VAL . 8.5 mt -101.33 165.2 14.54 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.488 0.758 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.474 ' HG2' ' CG1' ' A' ' 53' ' ' VAL . 18.3 Cg_endo -75.02 168.74 24.15 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.447 ' O ' ' CG2' ' A' ' 53' ' ' VAL . 11.8 tt0 -62.44 144.75 55.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 42.47 45.51 5.45 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.56 1.163 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.474 ' CG1' ' HG2' ' A' ' 50' ' ' PRO . 94.8 t -136.7 131.1 47.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.542 0.789 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -99.66 173.58 6.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.643 ' CD2' ' O ' ' A' ' 55' ' ' PHE . 32.5 t80 -86.97 14.89 6.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 111.039 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.446 ' HG3' ' CE1' ' A' ' 61' ' ' TYR . 11.6 pt20 -45.52 169.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.444 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.7 t-80 -50.15 144.83 10.58 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.57 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.613 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.96 -28.56 9.14 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.549 1.815 . . . . 0.0 111.005 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.26 -19.87 2.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 61' ' ' TYR . 40.2 m-80 -89.87 -49.83 6.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.613 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.8 m-30 -37.08 137.0 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' LEU . 3.4 m-20 -71.01 147.17 48.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' ASP . 2.1 tp -39.66 -32.9 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.132 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.402 ' N ' ' C ' ' A' ' 62' ' ' ASP . . . -70.52 -56.29 6.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 56.7 m -53.18 -50.35 64.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.39 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 41.4 mt -48.23 -51.17 26.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.467 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -65.91 -32.53 74.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.405 ' O ' ' N ' ' A' ' 72' ' ' ASN . 50.9 t90 -63.74 -57.64 9.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 108.005 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.536 ' CD1' ' CD2' ' A' ' 61' ' ' TYR . 35.2 mt -45.63 -49.45 4.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.467 ' CD1' HD22 ' A' ' 8' ' ' LEU . 48.8 mt -63.95 -38.22 90.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.14 -7.7 54.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' A' ' 68' ' ' TRP . 5.5 m-80 -144.17 40.41 1.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.525 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 5.7 pttt -85.81 -34.25 21.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.79 -19.62 12.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -94.73 -23.56 20.55 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.467 ' CD1' HG23 ' A' ' 69' ' ' ILE . 67.6 mt -73.03 122.95 26.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 0.784 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.9 p -141.29 139.79 33.73 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 110.032 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.572 ' CD2' HG13 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -95.22 108.18 20.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 110.952 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.419 ' N ' HD12 ' A' ' 79' ' ' ILE . 4.3 mm -82.27 90.08 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.471 HD11 ' CG2' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -65.24 144.03 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.152 . . . . 0.0 109.334 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -129.54 -45.78 1.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -168.03 156.5 8.31 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 179.4 6.12 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.501 1.79 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.566 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 41.1 m-85 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.98 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.463 ' CD2' ' HG3' ' A' ' 67' ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.468 ' CD ' ' HA ' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -38.37 -53.79 1.49 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -63.89 -52.48 59.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -39.74 -42.38 1.24 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.428 ' CG1' ' CE2' ' A' ' 16' ' ' PHE . 96.8 t -67.91 -59.05 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.46 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 2.4 mt-10 -51.87 -25.34 7.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.265 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -74.65 -29.3 61.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.511 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 78.6 t80 -80.85 -61.81 1.85 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.098 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.431 ' CD1' ' HE1' ' A' ' 55' ' ' PHE . 6.1 m-85 -36.36 -36.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.994 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 70.9 m -65.34 -65.15 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 108.289 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -40.73 -31.63 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.0 m -67.38 -63.74 1.0 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 108.301 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.592 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 5.9 t80 -49.26 -37.66 24.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.31 -36.54 70.36 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.472 1.108 . . . . 0.0 110.954 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -71.41 -25.52 62.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 0.794 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.17 -46.81 12.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.568 HD12 ' CD2' ' A' ' 20' ' ' TYR . 4.4 mt -58.72 -21.39 54.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.15 30.97 18.42 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 111.023 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.7 t -106.19 171.42 7.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.752 . . . . 0.0 110.399 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.4 m -112.99 20.86 15.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.407 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 15.4 m -134.16 -177.69 2.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 61.7 mtp -92.77 135.17 34.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.534 HG13 ' CE2' ' A' ' 20' ' ' TYR . 46.5 t -116.4 137.47 23.58 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 106.66 2.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.467 1.772 . . . . 0.0 110.991 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.525 ' O ' ' CD1' ' A' ' 34' ' ' TYR . 56.0 t -51.19 117.33 8.77 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.256 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.592 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -75.07 74.66 3.97 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.458 1.767 . . . . 0.0 110.963 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.525 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 95.1 m-85 -52.29 -64.52 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -38.46 -38.85 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.527 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 5.8 mtpt -70.09 -69.38 0.36 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 79.7 mtp -47.82 -48.28 30.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.6 mt -53.53 -49.83 66.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -61.8 -56.14 22.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.65 125.08 35.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -95.22 18.8 11.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.83 29.24 3.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.021 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -121.22 -54.41 2.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 109.342 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.604 HG13 ' CD2' ' A' ' 78' ' ' PHE . 10.8 t -135.92 142.84 37.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.6 t -109.67 147.36 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 79.3 t -106.89 138.72 31.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -145.25 126.97 15.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 110.258 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.73 31.06 3.05 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.561 1.163 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.418 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 7.0 mt -102.66 165.15 14.25 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.466 ' HG2' ' CG1' ' A' ' 53' ' ' VAL . 18.3 Cg_endo -75.02 172.25 16.74 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.521 1.801 . . . . 0.0 110.946 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.49 ' O ' ' CG2' ' A' ' 53' ' ' VAL . 25.3 tt0 -62.63 146.2 52.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 110.331 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 38.07 48.18 2.01 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.538 1.149 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 51' ' ' GLU . 92.8 t -136.82 131.94 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -101.36 172.55 6.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.153 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.645 ' CD2' ' O ' ' A' ' 55' ' ' PHE . 33.4 t80 -85.05 13.3 6.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 57' ' ' HIS . 13.3 pt20 -49.61 162.47 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.451 ' ND1' ' OE1' ' A' ' 59' ' ' GLU . 1.7 t-80 -39.96 142.33 0.7 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.578 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.604 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -75.02 -27.8 9.67 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.447 1.762 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.468 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 12.2 pt-20 -50.39 -20.9 1.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 61' ' ' TYR . 56.6 m-80 -89.02 -48.23 7.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.604 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.8 m-30 -36.83 147.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' LEU . 3.5 m-20 -82.54 148.97 27.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' ASP . 16.8 tp -39.86 -36.41 0.45 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.99 -56.72 7.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.107 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 73.1 m -52.13 -48.35 64.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.427 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 53.9 mt -53.04 -55.11 26.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.463 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -63.52 -28.25 69.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.428 ' O ' ' N ' ' A' ' 71' ' ' GLU . 72.5 t90 -68.24 -63.02 1.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 107.979 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 73' ' ' LYS . 75.1 mt -42.11 -49.72 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.403 ' CD1' HD22 ' A' ' 8' ' ' LEU . 90.8 mt -60.69 -43.03 98.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 68' ' ' TRP . 0.8 OUTLIER -68.3 -17.49 64.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -135.56 45.81 2.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.511 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 0.7 OUTLIER -81.19 -41.89 21.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.91 -25.6 3.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -83.46 -27.43 39.45 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.46 1.1 . . . . 0.0 110.984 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.443 ' N ' ' O ' ' A' ' 73' ' ' LYS . 37.4 mt -71.53 122.98 24.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 0.779 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.8 p -142.89 135.15 27.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.994 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.604 ' CD2' HG13 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -91.14 106.35 18.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.426 HD13 ' N ' ' A' ' 79' ' ' ILE . 4.7 mm -81.37 88.92 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.44 HD12 ' CG2' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -66.15 131.06 31.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -114.57 -40.19 3.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -174.37 156.64 2.36 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.324 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 178.61 7.04 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.535 1.808 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.527 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 64.6 m-85 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.446 HD23 ' CD1' ' A' ' 70' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 8' ' ' LEU . 2.2 ttm180 -38.04 -48.71 1.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 110.329 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -49.9 65.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -43.85 -47.71 8.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 78.5 t -59.15 -44.92 92.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.454 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 1.8 mm-40 -66.59 -31.18 71.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.321 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.74 -20.93 63.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.561 ' CE2' ' HB2' ' A' ' 73' ' ' LYS . 79.5 t80 -88.4 -62.96 1.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.439 1.087 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.446 ' CD1' ' HE1' ' A' ' 55' ' ' PHE . 5.7 m-85 -36.14 -40.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 99.4 m -60.47 -63.01 1.45 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.105 . . . . 0.0 108.268 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -40.96 -38.57 0.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.961 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.7 m -62.58 -58.89 5.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 108.296 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.593 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 4.5 t80 -51.94 -40.63 61.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.11 -38.08 92.05 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -70.53 -25.88 63.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 0.754 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.414 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -83.11 -46.14 13.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.587 HD12 ' CD2' ' A' ' 20' ' ' TYR . 4.4 mt -57.52 -26.02 60.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.62 -8.9 52.0 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.122 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.0 t -71.96 168.08 18.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 0.746 . . . . 0.0 110.433 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.2 m -110.63 14.98 22.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.364 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 11.0 m -122.96 -178.36 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 60.3 mtp -92.78 127.27 38.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.459 HG11 ' CD1' ' A' ' 24' ' ' LEU . 53.6 t -110.37 138.95 21.06 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 18.6 Cg_endo -74.95 111.82 3.42 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.49 1.784 . . . . 0.0 111.063 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 49.5 t -56.95 116.45 13.37 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.593 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.4 Cg_endo -74.99 81.17 2.26 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.455 1.766 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.411 ' O ' ' C ' ' A' ' 35' ' ' GLU . 35.7 m-85 -58.42 -62.81 1.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -38.26 -32.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.552 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 16.9 mttm -76.73 -67.76 0.67 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.57 ' HE1' ' CE2' ' A' ' 78' ' ' PHE . 61.0 mtp -48.58 -37.12 17.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.2 mt -64.46 -41.55 96.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.3 mtt180 -71.15 -53.49 14.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -128.89 120.84 26.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -93.26 18.27 9.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 m -101.01 30.29 4.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 110.001 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -116.57 -60.74 1.82 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.571 HG13 ' CD2' ' A' ' 78' ' ' PHE . 13.2 t -133.21 142.05 43.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.4 t -104.42 154.82 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 74.3 t -113.6 138.97 41.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -144.93 127.82 16.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.58 33.32 2.7 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.41 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 7.6 mt -105.31 164.44 15.09 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.477 0.751 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.41 ' HD2' ' HB3' ' A' ' 49' ' ' LEU . 18.2 Cg_endo -75.02 156.96 42.91 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.5 1.79 . . . . 0.0 110.977 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -57.33 132.26 52.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 59.34 50.45 67.59 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 99.0 t -148.6 130.08 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 0.747 . . . . 0.0 109.332 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.38 174.52 6.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.642 ' CD2' ' O ' ' A' ' 55' ' ' PHE . 37.9 t80 -86.26 14.73 6.06 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -47.75 163.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.262 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.409 ' ND1' ' HD2' ' A' ' 58' ' ' PRO . 1.7 t-80 -42.77 143.26 1.22 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 109.589 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.603 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -74.99 -28.34 9.26 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.531 1.806 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.4 -20.59 1.84 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 61' ' ' TYR . 29.2 m-80 -89.26 -48.3 7.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.603 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.5 m-30 -37.06 146.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 63' ' ' LEU . 1.2 m-20 -82.2 152.98 26.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.462 ' CD1' ' HE3' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -39.71 -48.86 2.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 68' ' ' TRP . . . -56.74 -58.31 8.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 88.7 m -50.32 -53.81 26.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.445 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 44.0 mt -47.96 -52.29 20.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.462 ' HE3' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -67.61 -28.73 67.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.328 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.441 ' N ' ' O ' ' A' ' 64' ' ' ALA . 57.4 t90 -66.61 -57.92 6.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 107.988 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.484 ' CD1' ' CE2' ' A' ' 61' ' ' TYR . 48.9 mt -47.76 -46.07 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.446 ' CD1' HD23 ' A' ' 8' ' ' LEU . 61.0 mt -64.98 -39.75 93.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.244 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.23 -13.12 61.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.122 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -141.32 43.34 1.77 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.561 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . 11.5 pttp -80.97 -41.67 22.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.43 -22.35 2.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -87.44 -24.66 35.7 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' A' ' 73' ' ' LYS . 42.8 mt -72.41 121.82 23.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.469 0.747 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.6 m -138.33 142.8 39.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.985 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.571 ' CD2' HG13 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -101.27 109.37 21.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 111.032 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.423 HD13 ' N ' ' A' ' 79' ' ' ILE . 5.2 mm -83.36 90.2 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.458 HD12 ' CG2' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -64.85 139.46 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -125.61 -46.84 1.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.1 ptt180 -167.16 156.58 9.58 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.27 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 178.58 7.07 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.449 1.763 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.552 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 49.5 m-85 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.96 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.46 ' CD2' ' HG3' ' A' ' 67' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 8' ' ' LEU . 14.1 ttp180 -37.93 -52.6 1.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -50.33 71.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -44.97 -43.33 8.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 74.8 t -61.65 -50.87 78.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.477 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 3.0 mt-10 -57.3 -36.41 71.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 110.331 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -60.58 -40.05 90.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.515 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 67.1 t80 -67.84 -64.67 0.81 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 110.99 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.452 ' CD1' ' HE1' ' A' ' 55' ' ' PHE . 6.9 m-85 -36.03 -45.18 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 77.4 m -62.45 -55.01 31.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 108.317 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 15' ' ' TYR . 1.1 t80 -50.87 -30.52 14.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.6 m -69.69 -57.16 5.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 108.266 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.57 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 2.9 t80 -54.45 -38.74 66.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.25 -35.0 76.1 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt -73.8 -25.63 60.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 0.743 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.74 -45.3 13.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.462 HD12 ' CG ' ' A' ' 20' ' ' TYR . 3.9 mt -58.97 -33.64 70.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.58 26.26 7.31 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.4 t -107.2 162.97 13.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.77 . . . . 0.0 110.405 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.5 m -105.14 21.76 16.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.41 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.8 m -131.21 -177.96 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.3 mtm -95.64 133.51 39.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.969 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.448 HG11 ' CD2' ' A' ' 20' ' ' TYR . 58.8 t -111.11 139.26 21.65 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 32' ' ' VAL . 18.3 Cg_endo -74.98 92.55 0.98 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.481 1.779 . . . . 0.0 110.973 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.499 ' O ' ' CD1' ' A' ' 34' ' ' TYR . 56.1 t -40.2 115.52 1.14 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.57 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -75.06 82.2 2.07 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.515 1.798 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.499 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 94.6 m-85 -59.53 -63.76 1.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -38.92 -39.13 0.5 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 110.334 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.562 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 1.3 mtpp -67.75 -69.23 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.504 ' HE2' ' CE2' ' A' ' 78' ' ' PHE . 77.9 mtp -49.22 -41.8 38.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 111.038 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.3 mt -59.71 -49.08 79.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.2 mtt180 -62.99 -53.85 47.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -132.68 125.77 31.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 109.273 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -96.48 19.02 12.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.324 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 m -95.55 27.15 3.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.967 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -119.48 -52.64 2.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.523 ' CG2' HD13 ' A' ' 80' ' ' ILE . 5.9 t -137.53 151.94 26.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 27.2 t -119.31 145.01 26.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 79.3 t -104.09 137.24 33.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -144.74 125.77 14.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.261 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 112.66 31.42 2.55 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.416 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 7.7 mt -103.2 164.47 15.42 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.472 0.748 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.416 ' HD2' ' HB3' ' A' ' 49' ' ' LEU . 18.3 Cg_endo -74.96 157.28 43.03 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.591 1.837 . . . . 0.0 110.981 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -59.23 129.11 40.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 110.289 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 65.31 48.99 63.63 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.56 1.162 . . . . 0.0 111.049 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 85.7 t -150.23 135.48 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.441 0.73 . . . . 0.0 109.321 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.412 ' O ' ' OH ' ' A' ' 61' ' ' TYR . . . -103.17 178.35 4.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.642 ' CD2' ' O ' ' A' ' 55' ' ' PHE . 45.5 t80 -88.78 15.1 8.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -50.9 166.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.418 ' ND1' ' OE2' ' A' ' 59' ' ' GLU . 1.7 t-80 -43.3 142.11 1.73 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.589 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.599 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.95 -28.54 9.17 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.419 1.747 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.418 ' OE2' ' ND1' ' A' ' 57' ' ' HIS . 12.4 pt-20 -49.6 -21.88 1.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 61' ' ' TYR . 32.1 m-80 -88.67 -48.21 7.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.599 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.1 m-30 -37.01 139.32 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 111.012 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 63' ' ' LEU . 2.5 m-20 -74.44 150.97 39.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.458 ' CD2' ' HE2' ' A' ' 67' ' ' LYS . 1.3 tp -39.24 -51.45 1.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 68' ' ' TRP . . . -54.67 -54.31 43.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 83.7 m -53.47 -55.32 26.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.423 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 44.1 mt -47.0 -49.45 20.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.361 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.46 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -69.37 -29.49 67.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.408 ' N ' ' O ' ' A' ' 64' ' ' ALA . 61.3 t90 -65.78 -58.52 5.45 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.49 ' CD1' ' CD2' ' A' ' 61' ' ' TYR . 68.4 mt -46.01 -49.92 4.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 70.5 mt -60.89 -43.5 98.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.45 -18.41 65.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -135.72 46.78 2.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.15 . . . . 0.0 109.321 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 1.5 ptmm? -82.35 -43.4 17.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.95 -23.47 2.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -83.76 -27.0 39.79 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.467 1.104 . . . . 0.0 111.004 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.438 ' N ' ' O ' ' A' ' 73' ' ' LYS . 57.7 mt -72.19 122.85 25.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.529 0.782 . . . . 0.0 109.308 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.8 m -141.73 135.15 29.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.001 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.504 ' CE2' ' HE2' ' A' ' 37' ' ' MET . 0.2 OUTLIER -92.01 108.09 19.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.414 ' N ' HD12 ' A' ' 79' ' ' ILE . 4.8 mm -83.55 91.08 2.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.523 HD13 ' CG2' ' A' ' 44' ' ' VAL . 0.9 OUTLIER -65.77 150.88 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -137.29 -47.34 0.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 109.247 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -164.3 156.3 14.31 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.276 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -176.05 2.68 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.458 1.767 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.562 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 27.5 m-85 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.468 ' CD2' ' HG3' ' A' ' 67' ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.7 mtm180 -43.43 -45.99 6.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 13' ' ' GLU . 10.2 mmtm -70.39 -52.59 21.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -40.64 -53.14 2.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 83.1 t -54.33 -44.33 65.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.467 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 2.6 mt-10 -68.75 -30.21 68.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -74.74 -16.36 60.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 33.1 t80 -92.06 -60.73 1.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.428 ' CD1' ' HE1' ' A' ' 55' ' ' PHE . 4.1 m-85 -37.63 -39.56 0.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 89.8 m -64.12 -53.51 48.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 108.288 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.463 ' N ' ' O ' ' A' ' 15' ' ' TYR . 1.5 t80 -49.55 -28.21 5.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.0 m -73.92 -58.99 2.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 108.28 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.592 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 4.6 t80 -53.22 -35.85 60.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.35 -35.4 60.09 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.4 mttm -73.6 -26.44 60.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 0.736 . . . . 0.0 109.268 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.8 -44.61 15.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.353 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.559 HD12 ' CD2' ' A' ' 20' ' ' TYR . 5.5 mt -59.3 -32.43 70.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.138 . . . . 0.0 109.297 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.27 28.13 7.36 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.9 t -109.65 152.58 25.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 110.386 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.7 p -94.01 23.53 4.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 110.413 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.0 m -132.73 -174.63 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.7 mtm -99.75 131.82 45.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.513 HG11 ' CD2' ' A' ' 20' ' ' TYR . 59.1 t -109.41 138.38 20.52 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 101.06 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.476 1.777 . . . . 0.0 110.986 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.446 ' O ' ' CD1' ' A' ' 34' ' ' TYR . 51.5 t -47.66 113.75 2.78 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.592 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -75.02 83.97 1.74 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.485 1.782 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.446 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 96.4 m-85 -60.16 -64.92 0.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 111.034 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -36.66 -40.16 0.24 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.554 1.159 . . . . 0.0 110.317 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.55 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 67.4 mttt -69.47 -69.12 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.535 ' HE2' ' CE2' ' A' ' 78' ' ' PHE . 89.6 mtp -47.7 -37.37 12.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.8 mt -65.48 -51.49 59.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -60.22 -53.12 61.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -130.47 127.67 39.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -98.54 16.19 22.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.246 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.22 27.49 3.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.983 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -118.85 -54.48 2.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.261 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.573 HG11 ' CD2' ' A' ' 78' ' ' PHE . 8.2 t -136.7 152.21 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.273 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.6 t -119.35 150.52 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 69.5 t -110.02 136.65 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -144.94 124.09 12.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.267 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 115.22 30.16 2.35 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.416 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 7.0 mt -101.73 164.55 15.67 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.416 ' HD2' ' HB3' ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.01 158.55 42.1 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.477 1.778 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.61 129.74 43.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 64.17 49.51 66.07 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 89.6 t -150.99 135.86 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.258 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.418 ' O ' ' OH ' ' A' ' 61' ' ' TYR . . . -103.61 -179.88 4.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.639 ' CD2' ' O ' ' A' ' 55' ' ' PHE . 44.6 t80 -89.88 14.75 11.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -49.6 165.77 0.06 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.403 ' ND1' ' HD2' ' A' ' 58' ' ' PRO . 1.7 t-80 -44.28 143.11 2.04 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.568 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.602 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.0 -29.0 8.69 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 0.0 110.99 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -48.8 -22.5 0.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 61' ' ' TYR . 32.1 m-80 -87.58 -49.34 7.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.602 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.1 m-30 -37.35 144.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 65' ' ' THR . 1.8 m-20 -78.38 147.65 34.01 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.4 tp -40.27 -36.69 0.55 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.2 -54.08 24.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 62' ' ' ASP . 93.5 m -54.83 -51.03 67.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.364 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 38.9 mt -48.6 -50.51 32.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.468 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -67.15 -31.52 72.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 63.3 t90 -64.94 -58.64 5.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 107.99 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.476 ' CD1' ' CD2' ' A' ' 61' ' ' TYR . 73.3 mt -45.08 -52.12 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 90.2 mt -59.99 -43.35 95.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.262 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.91 -17.61 64.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.251 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -136.04 45.3 2.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 1.7 ptmm? -81.04 -42.14 21.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.73 -23.74 2.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.63 -28.28 32.88 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.494 1.121 . . . . 0.0 111.017 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 73' ' ' LYS . 60.7 mt -72.23 119.72 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 0.778 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 m -138.05 136.87 37.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.573 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -93.62 110.82 22.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.945 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.415 ' N ' HD12 ' A' ' 79' ' ' ILE . 4.7 mm -84.25 91.04 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.579 1.174 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.513 HD12 ' CG2' ' A' ' 44' ' ' VAL . 0.8 OUTLIER -68.58 142.45 16.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -129.39 -45.89 1.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -163.47 155.4 15.04 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 176.55 9.77 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.523 1.802 . . . . 0.0 110.951 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.55 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 45.1 m-85 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 111.032 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.451 ' CD2' ' HG3' ' A' ' 67' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 8' ' ' LEU . 11.8 ttp180 -38.33 -55.5 1.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 13' ' ' GLU . 0.4 OUTLIER -58.79 -49.72 76.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -46.47 -46.1 18.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.441 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 49.4 t -60.18 -36.69 69.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.469 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 2.3 mt-10 -72.9 -39.36 66.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.334 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.34 -21.53 66.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 44.9 t80 -83.51 -66.76 0.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.945 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.436 ' CD1' ' HE1' ' A' ' 55' ' ' PHE . 6.6 m-85 -36.71 -37.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.953 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 78.6 m -64.04 -67.02 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 108.324 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -40.55 -33.85 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 62.6 m -65.89 -60.67 2.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 108.299 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.588 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 4.9 t80 -52.93 -36.47 59.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.76 -33.35 63.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -75.56 -26.55 58.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.759 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.87 -44.91 14.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.575 HD11 ' CD2' ' A' ' 20' ' ' TYR . 5.4 mt -57.66 -27.06 62.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.85 31.08 7.95 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.0 t -110.14 168.4 9.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 0.756 . . . . 0.0 110.411 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.416 ' CG2' ' O ' ' A' ' 27' ' ' THR . 8.4 m -109.12 20.98 17.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.369 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.8 m -133.34 -176.73 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 80.6 mtp -94.65 136.24 35.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.469 HG22 ' CD1' ' A' ' 24' ' ' LEU . 62.0 t -116.41 137.27 23.43 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 105.69 2.13 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.535 1.808 . . . . 0.0 111.036 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.461 ' O ' ' CD1' ' A' ' 34' ' ' TYR . 55.7 t -51.62 114.48 5.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.588 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -75.0 81.43 2.21 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.462 1.769 . . . . 0.0 111.035 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.461 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 97.0 m-85 -57.6 -64.76 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 34' ' ' TYR . 2.2 tp10 -37.18 -39.06 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.473 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 15.0 mttm -71.13 -69.01 0.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.557 ' HE3' ' CE2' ' A' ' 78' ' ' PHE . 90.0 mtp -47.19 -38.37 11.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.7 mt -65.83 -48.51 71.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.247 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.9 mtt-85 -63.36 -50.18 70.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.338 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.57 124.81 30.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -97.51 17.22 18.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.3 26.86 5.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.961 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -116.84 -52.93 2.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.571 HG13 ' CD2' ' A' ' 78' ' ' PHE . 10.5 t -139.44 152.12 23.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.6 t -117.88 155.61 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.426 HG12 ' CD1' ' A' ' 49' ' ' LEU . 75.2 t -114.76 135.05 55.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -142.76 125.17 15.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.273 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.36 27.6 3.58 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.426 ' CD1' HG12 ' A' ' 46' ' ' VAL . 7.9 mt -99.41 165.1 15.39 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.499 0.764 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.468 ' HG2' ' CG1' ' A' ' 53' ' ' VAL . 18.2 Cg_endo -75.02 172.5 16.24 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.447 1.762 . . . . 0.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.454 ' O ' ' CG2' ' A' ' 53' ' ' VAL . 6.0 tt0 -64.56 144.16 57.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 41.78 46.01 4.79 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.466 1.104 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.468 ' CG1' ' HG2' ' A' ' 50' ' ' PRO . 95.3 t -136.65 129.34 45.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 0.781 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.79 177.02 5.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.642 ' CD2' ' O ' ' A' ' 55' ' ' PHE . 34.2 t80 -89.6 15.15 9.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.983 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.482 ' HG3' ' CE1' ' A' ' 61' ' ' TYR . 8.6 pt20 -46.87 170.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.521 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.5 t-80 -50.58 147.1 8.52 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.617 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.598 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -74.98 -31.8 5.93 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.485 1.782 . . . . 0.0 111.033 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -49.17 -22.02 0.89 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -88.13 -49.68 6.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.598 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.6 m-30 -38.37 139.25 0.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 63' ' ' LEU . 4.8 m-20 -73.44 149.67 42.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 62' ' ' ASP . 19.1 tp -39.37 -43.14 1.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.89 -55.85 25.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 90.3 m -52.32 -52.08 55.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 110.407 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 44.7 mt -49.19 -53.06 23.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.451 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -63.88 -31.52 72.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.445 ' O ' ' N ' ' A' ' 71' ' ' GLU . 62.4 t90 -65.92 -60.84 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.516 ' CD1' ' CD2' ' A' ' 61' ' ' TYR . 40.1 mt -41.43 -52.95 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 109.312 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.03 -40.73 90.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 68' ' ' TRP . 0.2 OUTLIER -70.34 -10.77 59.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.336 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -142.6 42.67 1.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 11.9 pttp -82.27 -38.37 24.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.0 -29.39 43.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.96 -26.9 52.08 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.472 1.108 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.477 ' CD1' HG21 ' A' ' 69' ' ' ILE . 69.9 mt -72.59 123.1 26.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.757 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.0 m -140.46 141.06 35.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.967 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.571 ' CD2' HG13 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -97.14 112.72 24.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.955 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.423 ' N ' HD12 ' A' ' 79' ' ' ILE . 5.5 mm -85.1 91.21 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.508 HD11 ' CG2' ' A' ' 44' ' ' VAL . 0.7 OUTLIER -68.88 134.07 30.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -119.46 -47.73 2.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.7 ptt180 -163.82 156.15 15.1 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.295 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -178.32 4.09 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.502 1.791 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.473 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 47.6 m-85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.47 ' CD2' ' HG3' ' A' ' 67' ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.1 mtm180 -40.25 -50.08 2.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.253 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 13' ' ' GLU . 5.7 mmtm -65.17 -52.37 55.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -42.93 -44.69 4.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.158 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.68 -42.83 97.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.474 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 1.7 mm-40 -68.07 -38.45 82.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.261 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' A' ' 14' ' ' ASP . 45.5 t0 -58.96 -32.9 70.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.422 ' O ' ' C ' ' A' ' 16' ' ' PHE . 58.8 t80 -74.81 -66.32 0.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.436 ' CD1' ' HE1' ' A' ' 55' ' ' PHE . 7.6 m-85 -36.35 -38.54 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 75.2 m -63.29 -61.18 2.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 108.325 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.49 -38.46 9.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.963 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 31.2 m -57.68 -65.95 0.55 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 108.31 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.595 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 2.7 t80 -49.5 -36.96 24.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.41 -36.14 63.1 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.527 1.142 . . . . 0.0 110.956 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -73.14 -26.42 61.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.86 -46.07 13.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.581 HD12 ' CD2' ' A' ' 20' ' ' TYR . 4.6 mt -57.79 -27.7 63.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.73 29.17 10.18 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.517 1.136 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.7 t -105.83 170.35 7.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 110.4 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 43.9 m -110.74 13.9 22.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.141 . . . . 0.0 110.411 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.2 m -124.88 -176.74 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 72.6 mtp -94.37 134.01 37.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.945 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.509 HG12 ' CD2' ' A' ' 20' ' ' TYR . 24.7 t -113.49 133.65 22.13 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 99.69 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.518 1.799 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.445 ' O ' ' CD1' ' A' ' 34' ' ' TYR . 46.0 t -46.83 117.21 4.37 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.595 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.4 Cg_endo -74.99 84.2 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.464 1.77 . . . . 0.0 110.963 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.445 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 93.4 m-85 -61.25 -64.58 0.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -38.22 -39.03 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.447 ' HB3' ' CD2' ' A' ' 84' ' ' PHE . 18.5 mttm -67.66 -69.27 0.33 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 73.8 mtp -49.86 -46.19 51.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 16.3 mt -53.89 -45.05 70.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -68.5 -53.04 25.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 110.244 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -134.66 121.12 20.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -92.3 19.68 6.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.5 m -93.75 24.37 4.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 110.01 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -117.67 -52.31 2.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.568 HG12 ' CD2' ' A' ' 78' ' ' PHE . 5.2 t -135.7 153.18 32.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.417 HG12 ' N ' ' A' ' 46' ' ' VAL . 53.1 t -120.28 142.0 38.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.419 HG11 ' CD1' ' A' ' 49' ' ' LEU . 71.8 t -101.82 137.7 28.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -144.13 129.02 18.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 110.346 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.16 32.15 3.58 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.419 ' CD1' HG11 ' A' ' 46' ' ' VAL . 6.8 mt -103.0 165.03 14.36 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.509 0.77 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.467 ' HG2' ' CG1' ' A' ' 53' ' ' VAL . 18.4 Cg_endo -74.99 170.01 21.37 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.504 1.792 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -66.6 137.7 56.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 110.261 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.417 ' C ' HG23 ' A' ' 53' ' ' VAL . . . 50.82 46.08 48.85 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.467 ' CG1' ' HG2' ' A' ' 50' ' ' PRO . 77.9 t -140.23 129.09 26.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 0.0 109.282 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -98.03 171.7 8.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.649 ' CD2' ' O ' ' A' ' 55' ' ' PHE . 28.9 t80 -84.22 12.32 6.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 111.049 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -47.62 163.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 110.306 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.455 ' ND1' ' OE1' ' A' ' 59' ' ' GLU . 1.7 t-80 -41.06 143.49 0.74 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.617 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.602 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -75.0 -28.63 9.01 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.48 1.779 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.455 ' OE1' ' ND1' ' A' ' 57' ' ' HIS . 9.9 pt-20 -49.91 -21.33 1.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 61' ' ' TYR . 54.0 m-80 -88.65 -48.26 7.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.602 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.9 m-30 -37.38 144.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.408 ' C ' ' N ' ' A' ' 64' ' ' ALA . 1.5 m-20 -77.84 148.05 34.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.8 tp -40.14 -32.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.408 ' N ' ' C ' ' A' ' 62' ' ' ASP . . . -70.6 -59.98 2.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 76.6 m -49.89 -49.66 48.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.384 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 47.1 mt -49.12 -53.46 20.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.47 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -66.71 -28.49 68.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.352 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 66.9 t90 -67.24 -60.27 2.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 108.051 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.46 ' CD1' ' CE2' ' A' ' 61' ' ' TYR . 58.5 mt -44.31 -50.53 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.0 mt -60.74 -43.73 97.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -18.57 65.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -137.51 46.86 2.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.237 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 76' ' ' ILE . 1.0 OUTLIER -80.4 -43.27 21.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.91 -22.55 2.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.8 -26.89 36.44 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.443 ' N ' ' O ' ' A' ' 73' ' ' LYS . 40.5 mt -72.28 124.32 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 109.255 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.0 m -142.31 137.2 30.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.965 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.568 ' CD2' HG12 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -93.83 102.88 15.01 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.415 ' N ' HD12 ' A' ' 79' ' ' ILE . 5.1 mm -81.48 89.65 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.547 HD12 ' CG2' ' A' ' 44' ' ' VAL . 1.2 mm -61.75 155.45 4.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -138.71 -47.64 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.83 156.83 19.94 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 110.274 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 175.63 10.99 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.455 1.766 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.447 ' CD2' ' HB3' ' A' ' 36' ' ' LYS . 26.4 m-85 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 9' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 8' ' ' LEU . 9.7 ttp180 -38.21 -54.06 1.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.338 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -59.97 -47.08 87.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -48.18 -44.46 32.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 78.6 t -63.93 -38.5 82.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.473 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 1.8 mt-10 -70.79 -39.76 72.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -67.02 -19.99 65.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 33.1 t80 -85.34 -64.39 1.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 111.023 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.442 ' CD1' ' HE1' ' A' ' 55' ' ' PHE . 4.4 m-85 -37.23 -34.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 75.2 m -66.69 -66.28 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.416 1.072 . . . . 0.0 108.266 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -38.49 -32.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 111.039 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.9 m -67.55 -67.86 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 108.255 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.581 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 4.9 t80 -45.72 -33.46 3.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.53 -36.19 49.75 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -71.27 -25.03 62.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.7 -44.92 12.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.557 HD12 ' CD2' ' A' ' 20' ' ' TYR . 6.3 mt -57.94 -29.17 64.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.1 28.22 10.14 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.514 1.133 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.7 t -105.76 168.79 8.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 0.744 . . . . 0.0 110.371 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 36.0 p -110.06 16.83 21.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 110.413 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 15.6 m -128.2 -173.02 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 71.5 mtp -97.91 133.12 42.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 111.039 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.48 HG13 ' CE2' ' A' ' 20' ' ' TYR . 43.9 t -111.64 135.08 21.12 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.91 99.97 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.471 1.774 . . . . 0.0 110.984 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.433 ' O ' ' CD1' ' A' ' 34' ' ' TYR . 55.9 t -46.43 115.35 3.09 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.581 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -74.98 82.26 2.04 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.481 1.78 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.433 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 95.7 m-85 -58.12 -66.67 0.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 34' ' ' TYR . 2.6 tp10 -36.58 -41.45 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.354 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.462 ' HB3' ' CD2' ' A' ' 84' ' ' PHE . 59.1 mttt -66.85 -68.82 0.35 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.467 ' HE3' ' CE2' ' A' ' 78' ' ' PHE . 77.9 mtp -47.6 -44.24 26.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 111.05 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.0 mt -59.5 -44.39 93.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.331 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -53.2 35.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -132.57 124.29 28.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -95.34 19.26 11.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -96.58 27.82 3.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -119.62 -57.97 1.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.349 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.571 HG11 ' CD2' ' A' ' 78' ' ' PHE . 10.5 t -133.31 151.48 33.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.0 t -118.94 150.44 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 76.2 t -109.45 137.19 42.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.332 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -144.33 126.72 15.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.3 30.0 3.27 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.526 1.141 . . . . 0.0 110.971 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.417 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 8.3 mt -100.8 165.02 15.03 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.767 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.417 ' HD2' ' HB3' ' A' ' 49' ' ' LEU . 18.5 Cg_endo -74.97 161.9 38.08 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.5 1.79 . . . . 0.0 111.046 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -63.08 131.64 49.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.333 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 62.3 47.51 89.14 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.442 1.088 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 97.8 t -146.4 141.28 21.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 0.773 . . . . 0.0 109.255 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.404 ' O ' ' OH ' ' A' ' 61' ' ' TYR . . . -109.7 175.21 5.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.648 ' CD2' ' O ' ' A' ' 55' ' ' PHE . 39.8 t80 -86.31 15.33 5.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -50.3 164.22 0.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.467 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.6 t-80 -43.61 145.59 1.11 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.548 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.6 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.1 Cg_endo -75.02 -32.17 5.58 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.442 1.759 . . . . 0.0 110.956 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.59 -23.68 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 110.253 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 61' ' ' TYR . 47.6 m-80 -86.39 -49.39 7.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.651 ' CD2' ' CD1' ' A' ' 69' ' ' ILE . 20.2 m-30 -37.59 135.78 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.433 ' C ' ' N ' ' A' ' 64' ' ' ALA . 0.7 OUTLIER -70.24 146.46 50.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 62' ' ' ASP . 15.9 tp -39.49 -30.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 62' ' ' ASP . . . -72.59 -57.0 4.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 52.7 m -52.14 -48.3 64.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.115 . . . . 0.0 110.419 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 43.6 mt -50.14 -54.38 21.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -30.42 71.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.251 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 58.7 t90 -66.26 -57.28 7.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 107.994 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.651 ' CD1' ' CD2' ' A' ' 61' ' ' TYR . 80.4 mt -46.26 -52.04 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 70.9 mt -59.39 -42.51 91.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.9 -17.88 65.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -138.41 47.85 1.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 1.4 ptmm? -83.16 -44.15 15.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.17 -26.43 4.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.55 -29.54 43.55 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.429 ' N ' ' O ' ' A' ' 73' ' ' LYS . 66.4 mt -72.19 117.46 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.434 0.726 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.7 m -133.51 142.45 48.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.995 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.571 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -97.73 110.02 22.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 110.962 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.423 ' N ' HD12 ' A' ' 79' ' ' ILE . 5.3 mm -83.92 89.47 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -67.53 147.87 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -134.64 -51.61 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.9 ptt180 -156.73 156.03 29.34 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 176.07 10.41 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.518 1.799 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.462 ' CD2' ' HB3' ' A' ' 36' ' ' LYS . 23.3 m-85 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.423 HD23 ' CD1' ' A' ' 70' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.47 ' CD ' ' HA ' ' A' ' 59' ' ' GLU . 5.1 ttp180 -39.96 -32.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 110.306 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 13' ' ' GLU . 0.5 OUTLIER -83.39 -50.58 8.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -43.87 -51.42 7.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 57.2 t -52.42 -38.3 25.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.473 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 2.8 mt-10 -73.54 -37.17 65.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.4 -16.74 64.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.525 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 45.2 t80 -89.74 -64.47 1.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.431 ' CD1' ' HE1' ' A' ' 55' ' ' PHE . 6.2 m-85 -37.89 -42.52 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.138 . . . . 0.0 110.994 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 83.4 m -60.47 -58.53 8.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 108.275 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -47.47 -35.81 9.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 13.5 m -65.13 -62.92 1.26 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 108.304 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.587 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 5.0 t80 -49.15 -41.15 35.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.59 -41.06 94.25 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.476 1.11 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -67.1 -27.6 67.48 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.517 0.775 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.63 -44.75 15.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.568 HD11 ' CD2' ' A' ' 20' ' ' TYR . 5.8 mt -58.26 -27.31 63.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.65 23.08 19.52 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.115 . . . . 0.0 110.969 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.9 t -102.17 153.04 20.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 0.753 . . . . 0.0 110.429 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 74.7 m -93.96 23.76 4.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 110.392 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.5 m -139.23 -179.45 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 76.7 mtp -91.67 137.05 32.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.478 HG12 ' CE2' ' A' ' 20' ' ' TYR . 59.8 t -115.27 139.01 23.95 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 104.66 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.471 1.774 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -50.98 116.31 7.08 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.587 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -74.99 78.51 2.87 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.532 1.806 . . . . 0.0 110.993 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.478 ' O ' ' C ' ' A' ' 35' ' ' GLU . 91.9 m-85 -55.13 -70.07 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' A' ' 34' ' ' TYR . 0.7 OUTLIER -32.69 -46.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.257 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 39' ' ' ARG . 30.7 mttt -62.95 -67.73 0.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 87.9 mtp -46.59 -35.97 6.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.8 mt -70.64 -33.72 71.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -74.92 -48.32 25.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -143.49 117.92 9.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -88.98 19.47 4.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.16 27.11 2.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.038 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -121.09 -59.82 1.69 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.574 HG13 ' CD2' ' A' ' 78' ' ' PHE . 4.7 t -126.53 151.2 32.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.348 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 64.0 t -121.35 141.72 40.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.44 HG12 ' CD1' ' A' ' 49' ' ' LEU . 74.3 t -100.64 138.85 23.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -146.07 127.17 14.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.3 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.26 32.04 3.11 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.132 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.44 ' CD1' HG12 ' A' ' 46' ' ' VAL . 8.7 mt -102.78 165.13 14.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.477 0.751 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.445 ' HG2' ' CG1' ' A' ' 53' ' ' VAL . 18.4 Cg_endo -75.02 168.59 24.49 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.499 1.789 . . . . 0.0 110.972 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.19 142.54 58.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.414 ' C ' HG23 ' A' ' 53' ' ' VAL . . . 45.52 46.23 12.17 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.445 ' CG1' ' HG2' ' A' ' 50' ' ' PRO . 71.2 t -137.93 134.18 45.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.758 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.404 ' O ' ' OH ' ' A' ' 61' ' ' TYR . . . -103.76 172.88 6.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.649 ' CD2' ' O ' ' A' ' 55' ' ' PHE . 32.6 t80 -86.02 13.97 6.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 57' ' ' HIS . 13.3 pt20 -48.18 159.8 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.462 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.6 t-80 -39.45 145.44 0.42 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.602 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.609 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.1 Cg_endo -75.04 -31.07 6.46 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.497 1.788 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.47 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 1.4 pp20? -47.83 -23.04 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 110.291 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 61' ' ' TYR . 46.6 m-80 -86.34 -50.0 7.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.609 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.7 m-30 -37.16 143.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 63' ' ' LEU . 0.6 OUTLIER -78.17 150.51 33.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 62' ' ' ASP . 3.7 tp -39.99 -38.63 0.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.433 1.083 . . . . 0.0 109.268 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.35 -54.51 19.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 88.3 m -54.53 -49.15 70.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 110.428 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 46.6 mt -51.3 -52.75 42.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.96 -28.8 68.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.271 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 55.2 t90 -66.07 -58.01 6.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 108.029 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.587 ' CD1' ' CD2' ' A' ' 61' ' ' TYR . 72.8 mt -46.73 -51.07 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.423 ' CD1' HD23 ' A' ' 8' ' ' LEU . 89.3 mt -59.07 -43.73 91.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.81 -18.05 65.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -135.19 45.18 2.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.525 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 1.5 ptmm? -83.32 -41.22 18.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.24 -26.2 6.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.318 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -83.36 -27.66 39.02 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.462 1.101 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 66.2 mt -72.27 123.33 26.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.4 m -141.1 139.05 33.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.976 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.574 ' CD2' HG13 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -95.4 104.85 16.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.972 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.427 ' N ' HD12 ' A' ' 79' ' ' ILE . 4.1 mm -80.38 92.19 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.495 HD11 ' CG2' ' A' ' 44' ' ' VAL . 0.4 OUTLIER -69.14 151.43 10.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -137.69 -47.38 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -159.52 156.91 26.09 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 176.34 10.05 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.53 1.805 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.407 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 10.0 m-85 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.445 ' CD2' ' HG3' ' A' ' 67' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.409 ' HD2' ' CB ' ' A' ' 59' ' ' GLU . 8.9 ttp180 -38.08 -52.1 1.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.294 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 39.0 mmtt -57.61 -53.36 59.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -45.68 -44.54 13.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 91.4 t -61.72 -43.21 96.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.072 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.474 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 1.7 mt-10 -67.06 -43.04 83.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -58.82 -34.59 71.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 73' ' ' LYS . 69.1 t80 -71.04 -64.69 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 15' ' ' TYR . 6.2 m-85 -36.02 -37.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 79.4 m -64.49 -63.28 1.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 108.309 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -41.42 -38.17 1.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.408 ' O ' ' N ' ' A' ' 22' ' ' LYS . 20.9 m -62.12 -69.16 0.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 108.278 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.587 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 5.0 t80 -41.71 -44.05 3.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.47 ' CA ' HG22 ' A' ' 30' ' ' VAL . . . -62.61 -40.14 98.77 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.436 1.085 . . . . 0.0 111.028 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 19' ' ' CYS . 9.1 mttt -68.38 -24.02 64.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 0.74 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.3 -48.69 10.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.574 HD12 ' CD2' ' A' ' 20' ' ' TYR . 2.3 mt -57.63 -30.6 65.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.61 -15.91 10.51 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.8 t -77.75 174.3 11.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 0.75 . . . . 0.0 110.38 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 88.7 m -121.64 2.72 10.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.401 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 35.1 m -91.45 -169.73 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.6 mtm -100.9 109.1 21.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 110.98 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.474 HG11 ' CD1' ' A' ' 24' ' ' LEU . 10.7 t -91.65 135.72 27.4 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 32' ' ' VAL . 18.3 Cg_endo -74.97 91.2 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.533 1.807 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.492 ' O ' ' CD1' ' A' ' 34' ' ' TYR . 51.7 t -39.9 115.51 1.09 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.587 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -74.99 84.23 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.559 1.82 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.492 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 81.5 m-85 -60.51 -63.51 1.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.96 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -37.77 -39.07 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.334 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.561 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 14.8 mttm -69.6 -68.79 0.38 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.532 ' CE ' ' CZ ' ' A' ' 78' ' ' PHE . 70.1 mtp -48.81 -45.17 39.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.978 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 26.5 mt -56.92 -49.13 76.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -63.72 -51.74 63.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.334 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -135.9 124.33 23.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -94.3 17.71 12.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.262 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.15 28.57 2.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.01 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -121.77 -55.81 1.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.579 HG13 ' CD2' ' A' ' 78' ' ' PHE . 13.1 t -131.07 146.14 34.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.0 t -112.28 152.07 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 77.0 t -113.41 135.71 52.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -143.34 127.28 17.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 110.308 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.77 32.77 2.8 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 0.0 110.953 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.42 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 7.0 mt -103.76 165.28 13.76 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.528 0.781 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.457 ' HG2' ' CB ' ' A' ' 53' ' ' VAL . 18.2 Cg_endo -75.03 168.9 23.8 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.501 1.79 . . . . 0.0 110.935 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -66.27 136.99 56.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 110.296 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.431 ' C ' HG21 ' A' ' 53' ' ' VAL . . . 52.23 45.69 57.54 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.126 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.457 ' CB ' ' HG2' ' A' ' 50' ' ' PRO . 70.3 t -140.75 130.8 27.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.555 0.797 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -98.39 173.75 6.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.648 ' CD2' ' O ' ' A' ' 55' ' ' PHE . 29.3 t80 -85.46 13.85 6.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -47.04 167.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.4 ' ND1' ' HD2' ' A' ' 58' ' ' PRO . 1.7 t-80 -47.27 143.0 5.36 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.613 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.584 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -75.02 -26.37 10.95 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.409 ' CB ' ' HD2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -52.81 -19.43 2.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 0.0 110.31 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 61' ' ' TYR . 17.0 m-80 -91.87 -47.89 7.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.584 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 17.9 m-30 -35.85 143.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 63' ' ' LEU . 1.2 m-20 -78.29 151.5 32.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.373 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 62' ' ' ASP . 11.3 tp -39.61 -46.12 1.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 68' ' ' TRP . . . -60.02 -57.06 14.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 87.2 m -50.96 -53.06 36.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.365 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 46.0 mt -48.07 -52.51 19.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.268 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.445 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -68.17 -28.71 67.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.443 ' N ' ' O ' ' A' ' 64' ' ' ALA . 56.4 t90 -65.55 -57.89 7.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 108.052 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.576 ' CD1' ' CE2' ' A' ' 61' ' ' TYR . 50.9 mt -47.26 -47.14 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 84.3 mt -64.16 -40.47 96.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.59 -13.93 62.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -141.03 43.74 1.8 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.572 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . 12.8 pttp -80.91 -42.14 21.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.6 -23.5 2.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -86.39 -25.44 36.32 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.458 ' N ' ' O ' ' A' ' 73' ' ' LYS . 39.7 mt -71.99 121.69 22.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 0.774 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.9 m -141.53 136.73 31.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.988 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.579 ' CD2' HG13 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -91.8 106.03 18.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 111.01 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.415 HD11 ' N ' ' A' ' 79' ' ' ILE . 5.7 mm -84.01 95.56 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.524 HD12 ' CG2' ' A' ' 44' ' ' VAL . 1.6 mm -69.61 154.97 7.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -137.28 -48.0 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.98 156.65 15.24 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 177.11 9.04 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.502 1.79 . . . . 0.0 110.978 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.561 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 52.1 m-85 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 111.007 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 9' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 8' ' ' LEU . 2.3 ttm180 -38.57 -40.72 0.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 13' ' ' GLU . 24.6 tptt -75.25 -49.17 20.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.098 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -42.59 -52.89 4.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.49 ' CG1' ' CE2' ' A' ' 16' ' ' PHE . 47.9 t -53.43 -41.27 44.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.469 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 2.6 mt-10 -69.58 -36.73 76.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -66.83 -23.02 65.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 42.5 t80 -84.65 -63.78 1.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.49 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 5.9 m-85 -36.19 -38.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.977 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 71.7 m -60.26 -64.51 0.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 108.286 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -41.84 -37.68 1.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.3 m -62.94 -63.59 1.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 108.284 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.576 ' CD2' HD13 ' A' ' 24' ' ' LEU . 4.9 t80 -47.59 -32.84 5.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.83 -37.68 50.67 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.558 1.161 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -67.99 -23.72 65.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 0.735 . . . . 0.0 109.266 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.472 ' HB3' ' CG1' ' A' ' 80' ' ' ILE . . . -88.15 -45.38 10.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.576 HD13 ' CD2' ' A' ' 20' ' ' TYR . 6.0 mt -57.58 -25.21 59.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.09 28.06 19.08 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.446 1.091 . . . . 0.0 110.958 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.9 t -104.83 172.83 6.58 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.51 0.771 . . . . 0.0 110.385 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.2 m -113.84 19.18 16.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.385 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 18.5 m -132.17 -175.98 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.247 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 79.2 mtp -95.65 130.25 42.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 110.979 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.514 HG11 ' CE2' ' A' ' 20' ' ' TYR . 52.7 t -111.02 134.45 21.01 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 18.2 Cg_endo -74.99 107.88 2.59 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.546 1.814 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.541 ' O ' ' CD1' ' A' ' 34' ' ' TYR . 48.4 t -50.79 114.67 4.93 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.57 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -75.02 77.93 3.02 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.774 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.541 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 92.8 m-85 -56.81 -61.97 2.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 34' ' ' TYR . 1.8 tp10 -37.54 -34.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -77.98 -69.13 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.597 1.185 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 14.1 mmm -47.47 -48.65 26.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 110.962 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.9 mt -49.66 -37.05 26.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.0 mtt180 -76.59 -49.37 16.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -137.3 117.76 13.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.578 1.174 . . . . 0.0 109.253 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -88.92 20.27 3.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.59 25.77 3.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.138 . . . . 0.0 109.959 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -113.76 -57.63 2.26 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.579 HG13 ' CD2' ' A' ' 78' ' ' PHE . 14.1 t -129.43 149.54 33.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.3 t -112.14 147.31 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.47 HG11 ' CD1' ' A' ' 49' ' ' LEU . 76.8 t -108.93 135.52 47.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.256 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -144.12 128.06 17.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.72 30.83 3.61 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.127 . . . . 0.0 111.008 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.47 ' CD1' HG11 ' A' ' 46' ' ' VAL . 8.5 mt -101.29 164.93 15.04 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.474 0.75 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.41 ' HD2' ' HB3' ' A' ' 49' ' ' LEU . 18.4 Cg_endo -74.95 157.79 42.77 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.458 1.768 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -58.1 131.54 50.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.272 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 59.37 50.23 70.0 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.534 1.146 . . . . 0.0 111.033 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 92.4 t -147.76 127.61 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.444 0.732 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.408 ' O ' ' OH ' ' A' ' 61' ' ' TYR . . . -95.52 175.25 6.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.65 ' CD2' ' O ' ' A' ' 55' ' ' PHE . 31.1 t80 -87.9 14.61 8.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 111.049 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -48.17 161.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.283 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.413 ' ND1' ' HD2' ' A' ' 58' ' ' PRO . 1.7 t-80 -40.63 143.25 0.7 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.624 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.607 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -74.97 -27.57 9.96 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.496 1.787 . . . . 0.0 110.96 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -20.37 2.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.259 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 61' ' ' TYR . 48.8 m-80 -89.24 -48.72 7.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.607 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.8 m-30 -36.89 144.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.949 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 63' ' ' LEU . 6.6 m-20 -78.86 151.82 31.61 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.433 1.083 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 62' ' ' ASP . 3.7 tp -39.74 -41.31 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.097 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.2 -62.06 1.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.36 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 83.6 m -46.61 -50.01 18.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 110.375 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 46.1 mt -51.03 -57.26 9.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.405 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -62.94 -29.8 71.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.16 . . . . 0.0 109.269 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.414 ' O ' ' N ' ' A' ' 71' ' ' GLU . 64.6 t90 -66.28 -59.81 3.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 108.005 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.49 ' CD1' ' CE2' ' A' ' 61' ' ' TYR . 42.1 mt -41.62 -54.57 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 42.5 mt -59.0 -41.53 87.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 68' ' ' TRP . 0.1 OUTLIER -69.62 -11.35 60.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 110.261 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -143.84 46.32 1.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 9.7 pttp -86.4 -40.38 15.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.47 -27.65 4.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -83.93 -26.62 40.66 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.503 1.127 . . . . 0.0 110.962 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.476 ' CD1' HG23 ' A' ' 69' ' ' ILE . 57.9 mt -72.37 124.47 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 0.779 . . . . 0.0 109.308 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.7 m -140.5 138.27 34.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.959 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.579 ' CD2' HG13 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -94.4 102.44 14.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.435 HD13 ' N ' ' A' ' 79' ' ' ILE . 5.9 mm -80.27 87.69 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.472 ' CG1' ' HB3' ' A' ' 23' ' ' ALA . 0.3 OUTLIER -60.95 129.89 24.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.272 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -111.25 -43.22 3.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.233 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.76 156.41 5.01 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -174.93 2.12 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.469 1.773 . . . . 0.0 110.984 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.5 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 18.8 m-85 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.438 ' CD2' ' HG3' ' A' ' 67' ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 8' ' ' LEU . 5.1 mtm180 -38.67 -43.78 0.93 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -72.84 -52.46 14.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -43.33 -48.6 6.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 63.7 t -58.28 -40.85 79.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.475 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 2.6 mt-10 -69.17 -40.76 77.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.327 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -61.92 -29.96 70.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.517 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 44.2 t80 -75.39 -66.04 0.82 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.44 ' CD1' ' HE1' ' A' ' 55' ' ' PHE . 6.1 m-85 -36.03 -39.73 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 98.5 m -61.45 -57.95 10.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 108.315 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.437 ' N ' ' O ' ' A' ' 15' ' ' TYR . 1.9 t80 -47.76 -36.06 10.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 0.0 111.064 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.5 m -64.81 -64.57 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 108.263 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.58 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 4.9 t80 -46.99 -40.96 15.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.967 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.48 -40.42 94.33 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 110.989 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.8 mtpt -66.44 -25.08 66.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 0.776 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.58 -43.29 13.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.578 1.174 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.569 HD13 ' CD2' ' A' ' 20' ' ' TYR . 4.5 mt -62.27 -27.51 69.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.43 34.75 6.51 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.4 t -112.35 158.86 19.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 0.762 . . . . 0.0 110.397 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 28.8 p -100.53 17.53 21.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.372 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.5 m -128.57 -173.48 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 6.1 mtm -99.12 130.93 45.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.472 HG11 ' CD1' ' A' ' 24' ' ' LEU . 25.9 t -109.42 133.11 20.93 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 18.4 Cg_endo -75.02 100.0 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.499 1.789 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.501 ' O ' ' CD1' ' A' ' 34' ' ' TYR . 55.7 t -44.41 116.0 2.45 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.58 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -74.93 80.94 2.3 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.511 1.795 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.501 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 96.8 m-85 -59.51 -62.37 1.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 34' ' ' TYR . 4.6 tt0 -37.32 -35.38 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.0 mttm -76.24 -69.43 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 18.9 mmm -47.05 -45.22 21.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.0 mt -53.65 -40.0 65.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -73.71 -51.68 15.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -131.69 118.38 19.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -92.38 17.89 9.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.7 m -95.41 26.91 3.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.011 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -113.54 -63.7 1.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.575 HG11 ' CD2' ' A' ' 78' ' ' PHE . 7.2 t -123.73 143.46 36.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.8 t -106.66 145.89 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.466 HG11 ' CD1' ' A' ' 49' ' ' LEU . 70.9 t -107.85 135.18 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -143.18 127.55 17.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 110.337 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.4 27.97 4.24 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.11 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.466 ' CD1' HG11 ' A' ' 46' ' ' VAL . 8.4 mt -99.62 165.3 14.95 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.421 ' HG2' ' CG1' ' A' ' 53' ' ' VAL . 18.3 Cg_endo -75.02 175.09 11.7 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.519 1.8 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.487 ' O ' ' CG2' ' A' ' 53' ' ' VAL . 7.4 tt0 -66.51 146.06 54.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 110.31 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 40.28 45.98 3.34 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.462 1.101 . . . . 0.0 111.02 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.487 ' CG2' ' O ' ' A' ' 51' ' ' GLU . 88.2 t -136.47 132.55 48.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.765 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.415 ' O ' ' OH ' ' A' ' 61' ' ' TYR . . . -102.33 177.68 4.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.646 ' CD2' ' O ' ' A' ' 55' ' ' PHE . 37.7 t80 -89.58 14.46 11.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -48.7 162.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.447 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.7 t-80 -42.44 145.02 0.87 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.584 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.611 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -75.05 -29.12 8.49 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.482 1.78 . . . . 0.0 110.99 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.93 -20.92 1.49 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -88.6 -49.32 6.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.611 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.6 m-30 -37.66 140.77 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.422 ' C ' ' N ' ' A' ' 64' ' ' ALA . 2.1 m-20 -73.47 146.36 45.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.1 tp -39.91 -31.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.422 ' N ' ' C ' ' A' ' 62' ' ' ASP . . . -71.18 -56.57 5.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 51.6 m -52.88 -50.6 63.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.405 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 40.7 mt -47.46 -51.27 20.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.438 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -66.18 -34.12 77.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 57.5 t90 -62.58 -57.3 11.58 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.52 ' CD1' ' CE2' ' A' ' 61' ' ' TYR . 44.1 mt -44.61 -53.84 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 52.9 mt -59.66 -40.57 88.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.36 -12.25 61.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.339 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -142.68 45.39 1.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.517 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 11.5 pttp -84.18 -42.94 15.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.98 -25.34 4.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.02 -26.85 39.41 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.468 ' CD1' HG21 ' A' ' 69' ' ' ILE . 71.2 mt -72.89 124.33 29.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.5 p -138.56 139.52 38.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.002 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.575 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -95.36 102.42 14.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 111.007 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.433 HD13 ' N ' ' A' ' 79' ' ' ILE . 6.0 mm -80.94 88.87 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -60.35 137.45 22.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -121.04 -49.67 2.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.17 155.81 15.98 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 178.61 7.03 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.494 1.786 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.472 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 53.5 m-85 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.455 ' CD2' ' HG3' ' A' ' 67' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.473 ' CD ' ' HA ' ' A' ' 59' ' ' GLU . 9.5 ttm180 -38.6 -43.59 0.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.293 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 11' ' ' ALA . 0.5 OUTLIER -69.53 -55.1 11.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 10' ' ' LYS . . . -39.76 -49.27 2.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 15' ' ' TYR . 21.2 t -49.57 -56.61 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.247 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.467 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 3.3 mt-10 -53.39 -34.16 56.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.237 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.09 -16.32 61.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.599 ' CG ' ' N ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -91.44 -54.46 3.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.118 . . . . 0.0 111.015 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.599 ' N ' ' CG ' ' A' ' 15' ' ' TYR . 3.6 m-85 -45.85 -24.68 0.42 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 95.0 m -74.5 -57.64 3.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 108.304 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -40.11 -36.83 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.75 -67.0 0.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 108.322 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.59 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 3.1 t80 -47.31 -36.32 9.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.88 -37.76 60.7 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -71.83 -26.19 62.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 0.752 . . . . 0.0 109.256 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.6 -46.77 12.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.498 HD12 ' CG ' ' A' ' 20' ' ' TYR . 4.1 mt -57.65 -20.12 31.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.71 29.05 40.39 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.443 1.089 . . . . 0.0 110.969 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 27' ' ' THR . 2.4 t -100.12 177.78 4.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.777 . . . . 0.0 110.449 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.45 ' N ' ' OG1' ' A' ' 26' ' ' THR . 24.5 p -116.79 21.64 13.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.404 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 12.3 m -137.88 -173.43 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.351 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 5.6 mtm -100.43 130.86 46.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 111.012 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.542 HG11 ' CD2' ' A' ' 20' ' ' TYR . 96.2 t -109.67 137.47 20.39 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 104.6 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.415 ' O ' ' CD1' ' A' ' 34' ' ' TYR . 55.1 t -48.03 118.14 6.14 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.59 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -74.99 84.51 1.65 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.45 1.763 . . . . 0.0 111.035 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.415 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 96.2 m-85 -61.19 -62.8 1.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 111.001 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.54 -35.28 0.18 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.563 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 14.4 mttt -75.18 -67.68 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 92.6 mtp -48.31 -36.13 13.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.929 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.8 mt -70.53 -39.34 74.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -72.77 -51.64 18.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 110.305 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.68 113.88 17.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.355 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -90.1 17.29 7.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 110.269 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.6 m -104.88 23.81 12.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -109.02 -67.41 0.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.572 HG11 ' CD2' ' A' ' 78' ' ' PHE . 4.6 t -119.08 144.27 27.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.2 t -111.49 143.16 21.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.473 HG13 ' CD1' ' A' ' 49' ' ' LEU . 72.5 t -104.16 137.3 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -143.6 125.56 15.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.11 31.87 2.75 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.455 1.097 . . . . 0.0 111.024 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.473 ' CD1' HG13 ' A' ' 46' ' ' VAL . 9.6 mt -102.34 165.27 14.12 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 109.286 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.46 ' HG2' ' CG1' ' A' ' 53' ' ' VAL . 18.3 Cg_endo -75.05 170.05 21.26 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.539 1.81 . . . . 0.0 110.992 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.421 ' O ' ' CG2' ' A' ' 53' ' ' VAL . 2.8 tt0 -63.08 143.36 57.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.337 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 43.8 44.81 7.17 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.46 ' CG1' ' HG2' ' A' ' 50' ' ' PRO . 80.0 t -136.71 133.51 48.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 0.755 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.417 ' O ' ' OH ' ' A' ' 61' ' ' TYR . . . -103.42 -179.85 4.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.65 ' CD2' ' O ' ' A' ' 55' ' ' PHE . 41.9 t80 -92.09 14.9 14.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.427 ' HG3' ' CE1' ' A' ' 61' ' ' TYR . 8.8 pt20 -48.52 174.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.456 ' ND1' ' OE1' ' A' ' 59' ' ' GLU . 1.7 t-80 -52.51 144.73 22.91 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.593 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.618 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -75.05 -26.86 10.44 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.523 1.801 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.473 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 9.0 pt-20 -53.28 -18.91 2.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.268 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -90.55 -50.33 6.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.107 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.618 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 21.7 m-30 -38.42 145.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 63' ' ' LEU . 3.2 m-20 -78.75 146.53 33.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 62' ' ' ASP . 10.3 tp -39.56 -34.24 0.22 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.24 -57.81 5.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 48.3 m -51.29 -51.53 53.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.395 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 33.8 mt -46.72 -51.68 15.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.455 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -65.96 -33.39 75.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.419 ' O ' ' N ' ' A' ' 72' ' ' ASN . 60.9 t90 -63.36 -59.52 4.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 107.976 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.476 ' O ' ' N ' ' A' ' 73' ' ' LYS . 37.1 mt -45.88 -51.11 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 86.5 mt -59.18 -42.01 89.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.34 -13.89 61.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.297 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 68' ' ' TRP . 5.2 m-80 -134.76 41.07 2.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 69' ' ' ILE . 8.1 pttp -86.23 -29.67 22.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.98 -30.94 70.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -83.33 -21.7 58.1 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.485 ' CG2' ' OH ' ' A' ' 15' ' ' TYR . 65.3 mt -72.91 128.38 35.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.4 p -143.49 140.97 30.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.043 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.572 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -95.74 102.13 13.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.424 ' N ' HD12 ' A' ' 79' ' ' ILE . 5.8 mm -81.55 93.36 2.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.474 HD12 ' CG2' ' A' ' 44' ' ' VAL . 1.0 OUTLIER -66.52 147.17 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -127.57 -50.61 1.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.1 156.08 25.54 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.272 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 175.55 11.1 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.494 1.786 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.563 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 82.3 m-85 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.958 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.455 HD23 ' CD1' ' A' ' 70' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 8' ' ' LEU . 3.3 mtm180 -37.45 -50.72 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -65.46 -52.01 56.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -40.18 -48.05 2.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.419 ' CG1' ' CE2' ' A' ' 16' ' ' PHE . 74.4 t -60.69 -48.45 88.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.47 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 10.0 mm-40 -61.65 -26.07 67.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.68 -26.38 50.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.517 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 22.8 t80 -81.79 -60.51 2.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.448 ' CD1' ' HE1' ' A' ' 55' ' ' PHE . 4.7 m-85 -37.62 -36.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 111.019 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 99.6 m -66.83 -66.09 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 108.263 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -39.14 -35.35 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.2 m -67.16 -60.45 2.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 108.314 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.572 ' CD2' HD12 ' A' ' 24' ' ' LEU . 3.8 t80 -49.49 -37.46 26.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 111.028 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.06 -39.16 84.47 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.89 -23.0 65.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 0.803 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.99 -49.87 7.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.572 HD12 ' CD2' ' A' ' 20' ' ' TYR . 2.3 mt -57.66 -31.38 66.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.08 -6.95 43.63 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.466 HG23 ' CG2' ' A' ' 30' ' ' VAL . 1.3 t -66.0 159.93 24.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 110.4 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.7 m -103.06 10.67 37.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.383 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.5 m -126.83 178.83 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 37.7 mtp -82.2 140.02 33.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 111.043 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.515 HG13 ' CD2' ' A' ' 20' ' ' TYR . 20.6 t -118.16 130.93 24.43 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 101.17 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.489 1.784 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.504 ' O ' ' CD1' ' A' ' 34' ' ' TYR . 52.7 t -44.77 118.51 3.48 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.57 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -75.0 71.57 4.95 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.499 1.789 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.504 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 96.6 m-85 -48.9 -64.62 0.75 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 34' ' ' TYR . 2.7 tt0 -38.05 -37.81 0.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.561 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 45.0 mttt -72.95 -69.29 0.42 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.569 ' HE2' ' CE2' ' A' ' 78' ' ' PHE . 83.2 mtp -45.64 -37.74 5.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 22.6 mt -65.47 -50.65 64.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.7 mtt-85 -60.87 -51.05 70.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -129.29 126.01 38.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -101.01 18.59 19.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.432 ' O ' ' NH1' ' A' ' 82' ' ' ARG . 62.9 m -101.25 17.97 21.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.029 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -103.89 -60.7 1.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.564 HG12 ' CD2' ' A' ' 78' ' ' PHE . 12.7 t -130.82 147.96 33.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.404 HG11 ' N ' ' A' ' 46' ' ' VAL . 2.9 t -112.41 151.45 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.259 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.404 ' N ' HG11 ' A' ' 45' ' ' VAL . 78.2 t -110.18 135.67 48.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -141.95 128.29 19.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.289 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.04 30.28 3.48 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.546 1.154 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.415 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 7.7 mt -101.64 164.9 14.99 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.503 0.767 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.415 ' HD2' ' HB3' ' A' ' 49' ' ' LEU . 18.4 Cg_endo -74.99 160.45 40.17 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.537 1.809 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -60.68 131.43 50.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 60.67 50.28 69.28 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 88.3 t -148.43 136.4 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.474 0.749 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -104.98 174.53 5.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.642 ' CD2' ' O ' ' A' ' 55' ' ' PHE . 43.4 t80 -85.92 15.38 4.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -51.86 163.86 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.447 ' ND1' ' OE2' ' A' ' 59' ' ' GLU . 1.7 t-80 -42.08 143.55 1.0 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.636 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.602 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.1 Cg_endo -75.04 -28.33 9.19 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.532 1.806 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.447 ' OE2' ' ND1' ' A' ' 57' ' ' HIS . 10.9 pt-20 -51.1 -20.39 1.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 61' ' ' TYR . 55.4 m-80 -89.91 -47.59 7.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.602 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.1 m-30 -37.33 146.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.432 ' C ' ' N ' ' A' ' 64' ' ' ALA . 1.5 m-20 -78.79 148.63 32.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -40.64 -29.52 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.432 ' N ' ' C ' ' A' ' 62' ' ' ASP . . . -73.89 -62.35 1.53 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 53.0 m -46.8 -46.69 20.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.386 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 42.3 mt -51.25 -58.86 5.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -61.77 -32.93 73.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.423 ' O ' ' N ' ' A' ' 72' ' ' ASN . 62.0 t90 -63.19 -59.19 5.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 107.982 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.564 ' CD1' ' CE2' ' A' ' 61' ' ' TYR . 39.7 mt -43.26 -53.44 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.455 ' CD1' HD23 ' A' ' 8' ' ' LEU . 55.1 mt -59.87 -40.43 88.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.67 -12.49 61.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.331 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 68' ' ' TRP . 5.3 m-80 -140.88 44.91 1.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.517 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 11.0 pttp -83.99 -42.49 16.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.347 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.44 -25.67 6.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.18 -25.57 43.74 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.126 . . . . 0.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.476 ' CD1' HG22 ' A' ' 69' ' ' ILE . 66.4 mt -72.94 124.82 30.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 0.782 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.1 m -140.66 142.48 34.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.018 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.569 ' CE2' ' HE2' ' A' ' 37' ' ' MET . 0.2 OUTLIER -98.3 110.69 23.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 111.043 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.42 HD13 ' N ' ' A' ' 79' ' ' ILE . 5.6 mm -85.06 92.15 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.495 HD13 ' CG2' ' A' ' 44' ' ' VAL . 1.0 OUTLIER -65.9 140.3 19.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -124.8 -50.79 1.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.432 ' NH1' ' O ' ' A' ' 42' ' ' SER . 0.0 OUTLIER -163.49 156.36 15.92 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.264 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 174.7 12.33 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.444 1.76 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.561 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 53.7 m-85 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.473 ' CD2' ' HG3' ' A' ' 67' ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -38.4 -49.77 1.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 110.275 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 13' ' ' GLU . 40.6 tptt -69.6 -48.61 59.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -43.82 -46.06 7.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 51.3 t -63.13 -40.31 88.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.471 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 2.3 mt-10 -69.79 -31.76 69.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 10' ' ' LYS . 12.3 t0 -69.16 -23.84 63.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 44.0 t80 -83.26 -64.85 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.436 ' CD1' ' HE1' ' A' ' 55' ' ' PHE . 6.9 m-85 -36.46 -45.21 0.48 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 75.7 m -56.28 -62.35 1.77 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.096 . . . . 0.0 108.258 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -39.77 -48.23 2.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 22' ' ' LYS . 6.9 m -53.91 -69.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 108.267 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.592 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 5.0 t80 -40.41 -37.64 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.978 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.72 -43.07 60.65 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -66.03 -27.19 67.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 0.767 . . . . 0.0 109.267 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.36 -46.08 14.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.551 HD13 ' CD2' ' A' ' 20' ' ' TYR . 6.0 mt -57.81 -27.73 63.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.95 29.74 8.88 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.437 1.085 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.8 t -107.44 172.49 6.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 0.796 . . . . 0.0 110.402 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 38.2 p -112.78 18.15 18.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 110.422 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.4 m -129.93 -175.34 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 80.2 mtp -96.64 130.49 43.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.549 HG12 ' CE2' ' A' ' 20' ' ' TYR . 23.9 t -110.16 131.31 22.07 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 105.94 2.18 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.516 1.798 . . . . 0.0 110.988 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.531 ' O ' ' CD1' ' A' ' 34' ' ' TYR . 66.8 t -47.83 118.19 5.97 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 109.318 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.592 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -75.01 74.62 3.95 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.58 1.831 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.531 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 97.6 m-85 -53.97 -63.07 1.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -37.67 -31.58 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 110.308 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 34' ' ' TYR . 15.4 mttt -80.67 -68.87 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 15.9 mmm -48.66 -44.76 37.92 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 0.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.1 mt -54.15 -36.7 63.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.4 mtt85 -77.15 -46.9 21.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.272 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -140.27 118.08 11.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -89.84 17.52 6.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 m -91.91 31.1 1.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 110.028 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -120.19 -62.49 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.576 HG13 ' CD2' ' A' ' 78' ' ' PHE . 12.9 t -124.72 143.36 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.422 HG23 ' ND2' ' A' ' 81' ' ' ASN . 2.6 t -106.62 151.18 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.461 HG13 ' CD1' ' A' ' 49' ' ' LEU . 72.7 t -112.36 137.21 46.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.258 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -145.51 127.24 15.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.128 . . . . 0.0 110.291 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.78 30.73 3.38 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.562 1.164 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.461 ' CD1' HG13 ' A' ' 46' ' ' VAL . 9.2 mt -101.82 165.09 14.59 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.469 0.747 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.418 ' HD2' ' HB3' ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.03 154.09 42.1 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.561 1.821 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.73 132.14 45.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 59.31 50.25 69.79 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.464 1.103 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 94.4 t -148.37 127.34 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 0.786 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -95.13 176.25 6.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.254 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.647 ' CD2' ' O ' ' A' ' 55' ' ' PHE . 35.0 t80 -88.86 14.52 10.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 111.036 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -49.25 161.82 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.426 ' ND1' ' HD2' ' A' ' 58' ' ' PRO . 1.7 t-80 -40.71 144.05 0.64 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 109.585 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.609 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -75.05 -28.34 9.17 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.532 1.806 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.83 -21.09 1.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 -88.32 -47.61 8.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.609 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.7 m-30 -39.31 141.68 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.446 ' C ' ' N ' ' A' ' 64' ' ' ALA . 4.3 m-20 -74.05 145.69 44.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.8 tp -39.41 -30.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.446 ' N ' ' C ' ' A' ' 62' ' ' ASP . . . -71.09 -60.06 2.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 60.1 m -49.47 -51.03 38.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.399 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 39.4 mt -46.42 -52.71 12.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.282 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.473 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -66.56 -31.88 72.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 58.0 t90 -63.91 -58.58 6.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 108.005 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 73' ' ' LYS . 30.5 mt -44.12 -52.91 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 31.4 mt -60.46 -38.28 83.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.94 -10.01 59.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -147.27 46.33 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 11.1 pttp -84.56 -40.52 17.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.02 -27.7 5.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -82.87 -25.75 48.24 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.458 ' N ' ' O ' ' A' ' 73' ' ' LYS . 67.3 mt -72.86 123.69 28.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.773 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.9 p -138.03 142.3 40.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.968 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.576 ' CD2' HG13 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -98.55 104.18 16.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.165 . . . . 0.0 110.998 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.424 HD11 ' N ' ' A' ' 79' ' ' ILE . 5.2 mm -80.66 88.34 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.35 122.93 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.422 ' ND2' HG23 ' A' ' 45' ' ' VAL . 22.3 m-20 -105.44 -42.62 5.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.29 156.19 4.44 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -179.75 5.29 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.479 1.778 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.56 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 57.1 m-85 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 110.958 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.91 88.61 2.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 0.766 . . . . 0.0 110.009 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -107.2 164.48 12.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 110.009 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.74 101.15 0.15 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.493 1.121 . . . . 0.0 111.021 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.22 -57.23 0.76 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 0.763 . . . . 0.0 110.001 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.4 p -78.51 157.36 28.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.959 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.42 158.3 27.99 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.461 ' CD2' ' HG3' ' A' ' 67' ' ' LYS . 0.5 OUTLIER -96.03 -65.3 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 0.744 . . . . 0.0 109.324 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 8' ' ' LEU . 12.2 ttp180 -37.87 -54.24 1.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -58.58 -51.42 69.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.355 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -44.9 -49.58 10.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 63.0 t -56.69 -40.74 71.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 0.0 109.256 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.477 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 3.3 mt-10 -70.17 -50.31 41.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -54.24 -28.34 40.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 24.7 t80 -78.42 -63.64 1.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.429 ' CD1' ' HE1' ' A' ' 55' ' ' PHE . 4.0 m-85 -36.26 -38.33 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 70.8 m -64.69 -61.93 1.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 108.312 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -40.26 -33.51 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.979 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.8 m -67.42 -63.35 1.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 108.324 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.586 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 4.7 t80 -48.37 -40.71 26.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.51 -33.84 82.63 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.485 1.115 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -75.86 -26.41 57.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.781 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.81 -44.14 17.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.0 mt -57.86 -33.58 68.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.26 21.42 10.81 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.0 t -98.83 176.4 5.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 0.0 110.375 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 m -116.16 19.91 14.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.395 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.0 m -132.42 -172.52 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 67.9 mtp -100.6 135.72 41.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.536 HG12 ' CE2' ' A' ' 20' ' ' TYR . 87.1 t -113.55 141.03 25.26 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.436 ' HD2' ' CG1' ' A' ' 30' ' ' VAL . 18.1 Cg_endo -75.02 95.31 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.505 1.792 . . . . 0.0 110.982 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.496 ' O ' ' CD1' ' A' ' 34' ' ' TYR . 44.1 t -40.46 114.27 1.05 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.586 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -75.03 80.65 2.39 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.458 1.768 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.496 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 94.6 m-85 -57.94 -64.51 0.88 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.148 . . . . 0.0 110.994 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -38.22 -38.33 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 110.332 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.559 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 61.4 mttt -69.02 -67.11 0.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.577 ' CE ' ' CZ ' ' A' ' 78' ' ' PHE . 81.0 mtp -50.91 -47.09 60.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 26.4 mt -55.36 -53.13 60.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -57.64 -53.55 56.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.277 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -134.88 127.28 30.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -95.15 17.84 13.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.22 32.27 1.76 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.961 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 84' ' ' PHE . . . -129.48 -53.99 1.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.574 HG13 ' CD2' ' A' ' 78' ' ' PHE . 6.4 t -132.72 140.54 47.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.2 t -110.0 150.92 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.25 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 78.5 t -112.68 135.39 52.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -144.29 126.58 15.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.19 33.97 2.24 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.553 1.158 . . . . 0.0 111.022 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.416 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 8.4 mt -105.34 164.22 15.52 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.469 0.747 . . . . 0.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.416 ' HD2' ' HB3' ' A' ' 49' ' ' LEU . 18.2 Cg_endo -75.02 154.55 42.46 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.498 1.788 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -54.08 131.89 41.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 58.53 50.46 66.74 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.449 1.093 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 89.7 t -148.64 125.33 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 0.777 . . . . 0.0 109.311 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.402 ' O ' ' OH ' ' A' ' 61' ' ' TYR . . . -93.43 175.04 6.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.26 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.651 ' CD2' ' O ' ' A' ' 55' ' ' PHE . 37.7 t80 -86.01 14.1 6.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -47.68 162.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.27 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.434 ' CE1' ' OE2' ' A' ' 13' ' ' GLU . 1.7 t-80 -42.0 144.15 0.9 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.61 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.611 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -75.04 -31.14 6.39 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.522 1.801 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.7 -23.93 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.345 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -85.15 -48.7 8.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.611 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.3 m-30 -39.19 135.2 1.01 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.434 ' C ' ' N ' ' A' ' 64' ' ' ALA . 1.6 m-20 -70.0 146.89 50.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.6 tp -39.97 -30.36 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.261 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.434 ' N ' ' C ' ' A' ' 62' ' ' ASP . . . -72.52 -57.0 4.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 78.1 m -53.13 -50.61 64.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 110.381 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 46.8 mt -47.26 -49.16 24.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.461 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -68.47 -30.9 69.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 51.9 t90 -64.43 -56.38 14.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 107.974 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.52 ' CD1' ' CE2' ' A' ' 61' ' ' TYR . 43.0 mt -48.77 -45.74 15.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.407 ' CD1' HD21 ' A' ' 8' ' ' LEU . 61.5 mt -66.14 -39.42 89.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.88 -10.62 60.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 110.271 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -141.89 40.4 1.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 11.0 pttp -81.04 -35.27 32.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.581 1.175 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.75 -19.1 9.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -92.84 -24.21 23.6 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.538 1.149 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 41.9 mt -72.3 121.5 22.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 m -141.32 135.3 30.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 110.04 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.577 ' CZ ' ' CE ' ' A' ' 37' ' ' MET . 0.2 OUTLIER -90.05 105.05 17.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.417 HD13 ' N ' ' A' ' 79' ' ' ILE . 5.1 mm -82.57 92.97 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.514 HD12 ' CG2' ' A' ' 44' ' ' VAL . 1.0 OUTLIER -69.82 142.78 15.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -123.99 -44.0 2.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.61 157.24 10.81 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 110.266 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 177.98 7.87 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.499 1.789 . . . . 0.0 110.95 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 44.9 m-85 -95.47 165.35 12.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -121.89 155.15 36.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 131.36 168.12 12.09 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.538 1.148 . . . . 0.0 110.961 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 109.5 2.94 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.475 1.776 . . . . 0.0 111.039 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -172.66 124.65 0.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.32 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 40.0 m -128.91 -63.72 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.004 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.75 112.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.6 tp -74.7 157.07 35.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -93.01 89.16 1.32 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.477 1.111 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 167.13 137.61 2.26 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.75 143.56 47.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 0.0 110.031 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -154.58 148.01 17.92 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.502 1.126 . . . . 0.0 110.963 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 110.81 3.19 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.483 1.78 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.2 m -85.11 108.04 17.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.011 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 93.7 p -91.42 114.73 27.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.03 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 -179.979 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.4 p -114.88 128.13 56.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 0.759 . . . . 0.0 110.036 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.0 139.37 42.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.95 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.93 -168.88 14.58 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.53 1.143 . . . . 0.0 111.015 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.4 m -131.33 130.62 42.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.988 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.08 118.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.043 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.22 161.66 19.68 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.38 -63.84 1.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 0.748 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.411 ' CG ' HD12 ' A' ' 66' ' ' LEU . 12.8 mtm180 -41.92 -47.96 4.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.283 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -56.4 -51.77 67.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -47.69 -44.39 27.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.466 ' CG1' ' CE2' ' A' ' 16' ' ' PHE . 53.8 t -66.39 -41.63 89.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.463 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 3.9 mm-40 -65.95 -36.2 82.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.92 -24.34 66.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.56 ' CE2' ' HB2' ' A' ' 73' ' ' LYS . 70.8 t80 -84.26 -63.85 1.27 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.466 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 3.9 m-85 -36.01 -33.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.962 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 15' ' ' TYR . 76.4 m -69.64 -59.41 2.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 108.317 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.431 ' N ' ' O ' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -43.13 -35.19 1.26 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.949 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.5 m -64.63 -66.42 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 108.291 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.584 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 3.7 t80 -46.8 -35.33 6.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.37 -38.04 58.59 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.535 1.147 . . . . 0.0 111.047 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.4 mttt -70.28 -24.56 63.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.86 -45.24 12.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.56 HD12 ' CD2' ' A' ' 20' ' ' TYR . 4.9 mt -60.12 -26.4 66.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.565 1.166 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.21 32.35 8.95 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.547 1.154 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.1 t -110.12 153.51 24.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 110.369 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.6 m -94.82 23.23 5.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.413 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.6 m -133.97 -173.79 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 76.3 mtp -99.94 131.75 45.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.975 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.553 HG13 ' CD2' ' A' ' 20' ' ' TYR . 53.4 t -109.48 136.05 20.27 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 101.61 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.499 1.789 . . . . 0.0 110.994 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.2 t -48.41 115.71 4.46 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.584 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.4 Cg_endo -74.96 83.09 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.504 1.792 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.421 ' O ' ' C ' ' A' ' 35' ' ' GLU . 76.9 m-85 -58.44 -66.58 0.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -36.99 -41.1 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 110.349 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.568 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 26.9 mttt -64.78 -68.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.448 ' HE3' ' CE2' ' A' ' 78' ' ' PHE . 66.2 mtp -50.16 -46.14 53.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.9 mt -55.03 -38.92 68.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.4 mtt-85 -75.05 -52.47 10.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.316 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -127.98 118.91 24.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -93.87 19.01 9.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.65 25.9 7.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.988 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -114.88 -67.18 1.01 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.574 HG12 ' CD2' ' A' ' 78' ' ' PHE . 10.8 t -121.21 144.11 31.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.7 t -108.94 151.98 11.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 73.5 t -111.94 137.03 46.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -144.11 128.45 17.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.74 30.8 3.37 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.471 1.107 . . . . 0.0 110.956 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.418 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 7.6 mt -102.59 165.08 14.38 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 109.333 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.418 ' HD2' ' HB3' ' A' ' 49' ' ' LEU . 18.4 Cg_endo -75.03 176.66 9.63 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.528 1.804 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.474 ' O ' ' CG2' ' A' ' 53' ' ' VAL . 3.0 tt0 -67.34 145.63 54.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 40.24 47.74 3.57 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.547 1.154 . . . . 0.0 110.958 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.474 ' CG2' ' O ' ' A' ' 51' ' ' GLU . 85.8 t -136.73 139.72 44.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.414 ' O ' ' OH ' ' A' ' 61' ' ' TYR . . . -106.85 -179.55 3.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.655 ' CD2' ' O ' ' A' ' 55' ' ' PHE . 37.3 t80 -92.59 16.17 12.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.958 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.49 ' HG3' ' CE1' ' A' ' 61' ' ' TYR . 16.4 pt20 -47.08 173.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.531 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.5 t-80 -55.12 147.4 35.07 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.578 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.613 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -75.01 -32.44 5.36 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.473 1.775 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.88 -22.32 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -87.6 -51.9 5.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.613 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 22.1 m-30 -37.52 140.73 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -77.2 153.79 33.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.1 tp -39.34 -50.96 2.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.35 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 68' ' ' TRP . . . -54.2 -59.96 3.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 66.3 m -50.48 -54.97 18.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.37 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.411 HD12 ' CG ' ' A' ' 9' ' ' ARG . 63.9 mt -49.43 -50.07 42.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -28.71 68.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.446 ' N ' ' O ' ' A' ' 64' ' ' ALA . 70.2 t90 -67.69 -61.19 2.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 108.024 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.455 ' O ' ' N ' ' A' ' 73' ' ' LYS . 61.8 mt -42.61 -49.0 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 87.5 mt -62.8 -42.45 99.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 68' ' ' TRP . 0.1 OUTLIER -67.17 -16.32 64.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 110.317 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -138.7 44.77 2.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.56 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . 1.8 ptmm? -79.75 -42.73 23.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.1 -23.81 3.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.303 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.5 -25.52 42.6 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 73' ' ' LYS . 38.4 mt -72.48 125.02 30.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.2 p -143.09 140.57 30.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.984 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.574 ' CD2' HG12 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -97.18 110.19 22.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 110.989 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.406 HD13 ' N ' ' A' ' 79' ' ' ILE . 5.4 mm -85.33 91.03 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -66.98 140.41 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -125.62 -47.03 1.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.241 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.9 ptt180 -166.4 156.18 10.56 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.326 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -177.33 3.39 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.517 1.798 . . . . 0.0 111.009 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 42.8 m-85 -97.98 165.93 11.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.85 68.74 10.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 54.12 171.18 0.05 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -50.06 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.537 1.809 . . . . 0.0 111.044 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.45 153.69 47.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.246 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.06 96.68 5.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.978 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -179.03 97.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.3 mp -151.42 146.99 26.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -79.12 -74.15 1.08 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.467 1.105 . . . . 0.0 110.981 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 146.25 -93.7 0.16 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.34 115.01 5.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 0.775 . . . . 0.0 110.007 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -147.08 73.95 0.3 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.536 1.147 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 144.1 29.75 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.538 1.809 . . . . 0.0 111.017 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 59.4 p -119.58 106.56 12.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.012 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.33 -58.47 2.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.004 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.46 1.1 . . . . 0.0 111.032 -179.979 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.75 125.64 45.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 0.78 . . . . 0.0 110.021 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.7 p -136.56 133.26 36.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.99 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.41 177.5 20.33 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.122 . . . . 0.0 110.951 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.8 t -168.02 -59.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 0.782 . . . . 0.0 110.01 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.2 p -53.3 165.19 0.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.025 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.18 132.09 6.75 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.491 1.12 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.04 -50.8 37.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.761 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.465 ' CD ' ' HA ' ' A' ' 59' ' ' GLU . 2.4 mtm105 -44.99 -41.36 7.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 13' ' ' GLU . 4.0 mmmt -74.88 -51.64 13.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -40.37 -40.77 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 69.1 t -68.24 -50.03 61.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.237 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.466 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 1.8 mm-40 -61.19 -28.23 68.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 110.29 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -71.77 -30.13 65.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.52 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 60.2 t80 -79.22 -62.19 1.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.974 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' A' ' 15' ' ' TYR . 5.1 m-85 -36.14 -41.93 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.105 . . . . 0.0 110.982 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 75.8 m -61.47 -58.26 8.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 108.339 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.412 ' N ' ' O ' ' A' ' 15' ' ' TYR . 5.9 t80 -45.75 -41.39 10.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 13.2 m -59.2 -64.21 1.02 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 108.271 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.572 ' CD2' HD12 ' A' ' 24' ' ' LEU . 4.0 t80 -50.19 -40.72 47.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.63 -36.44 87.9 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.535 1.147 . . . . 0.0 110.955 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -72.89 -25.97 61.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 0.751 . . . . 0.0 109.268 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.59 -45.45 14.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.572 HD12 ' CD2' ' A' ' 20' ' ' TYR . 4.6 mt -58.7 -25.36 62.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.84 29.19 12.13 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.8 t -105.87 152.93 22.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 0.779 . . . . 0.0 110.374 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.1 m -94.26 23.77 4.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 110.381 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 18.5 m -138.74 -177.02 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 65.5 mtp -94.25 135.52 35.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.082 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.473 HG13 ' CD1' ' A' ' 24' ' ' LEU . 48.2 t -113.72 137.99 22.48 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 105.7 2.13 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.496 1.788 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 52.6 t -52.56 116.18 8.35 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.565 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -75.03 81.24 2.26 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.443 1.76 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 35' ' ' GLU . 73.6 m-85 -59.03 -64.57 0.89 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.15 . . . . 0.0 111.027 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 34' ' ' TYR . 3.6 tt0 -38.28 -37.32 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.568 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 10.3 mtpt -68.82 -69.17 0.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.449 ' CE ' ' CZ ' ' A' ' 78' ' ' PHE . 66.4 mtp -49.95 -37.64 32.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.1 mt -63.66 -49.02 74.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.0 mtt180 -64.33 -49.81 70.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.357 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -132.43 122.7 25.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -95.4 19.52 10.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.357 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.4 32.4 3.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 110.027 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -120.9 -57.54 1.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.575 HG12 ' CD2' ' A' ' 78' ' ' PHE . 14.2 t -132.93 149.17 31.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.251 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.405 HG12 ' N ' ' A' ' 46' ' ' VAL . 21.4 t -113.0 147.23 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.422 HG13 ' CD1' ' A' ' 49' ' ' LEU . 61.6 t -106.54 137.12 38.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.35 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -143.63 129.05 18.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.28 30.9 3.7 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.507 1.129 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.422 ' CD1' HG13 ' A' ' 46' ' ' VAL . 7.6 mt -103.24 165.26 13.9 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.772 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.467 ' HG2' ' CG1' ' A' ' 53' ' ' VAL . 18.4 Cg_endo -75.0 172.45 16.34 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.512 1.796 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.49 ' O ' ' CG2' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -62.96 145.43 55.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 39.1 47.45 2.57 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 51' ' ' GLU . 95.5 t -136.78 129.22 44.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.548 0.793 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -98.38 176.96 5.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.654 ' CD2' ' O ' ' A' ' 55' ' ' PHE . 42.8 t80 -89.41 14.5 11.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.951 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' HIS . 14.6 pt20 -49.74 162.16 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 110.305 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 56' ' ' GLN . 1.7 t-80 -40.11 142.87 0.66 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.596 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.609 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -75.02 -29.05 8.59 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.501 1.79 . . . . 0.0 110.972 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.465 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -49.02 -22.19 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.332 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 61' ' ' TYR . 54.4 m-80 -86.99 -49.39 7.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.609 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.5 m-30 -37.33 148.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 63' ' ' LEU . 0.8 OUTLIER -83.69 149.36 26.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.434 ' CD1' ' HE2' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -39.95 -41.29 1.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.35 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.19 -53.19 53.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 62' ' ' ASP . 80.8 m -55.19 -50.35 69.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.418 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 57.7 mt -52.18 -50.93 60.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.434 ' HE2' ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -64.26 -30.75 71.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.574 1.171 . . . . 0.0 109.311 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.448 ' O ' ' N ' ' A' ' 71' ' ' GLU . 73.7 t90 -66.35 -62.95 1.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 108.001 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' ' 73' ' ' LYS . 46.2 mt -41.57 -49.16 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.51 -42.57 99.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 68' ' ' TRP . 0.7 OUTLIER -68.69 -15.94 63.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 68' ' ' TRP . 4.3 m-80 -138.0 46.67 2.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 0.8 OUTLIER -82.03 -42.19 19.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.83 -23.84 3.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.82 -25.91 39.89 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 73' ' ' LYS . 38.0 mt -72.19 125.16 30.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 0.751 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 m -143.6 137.02 28.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.971 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.575 ' CD2' HG12 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -92.73 106.55 18.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 111.013 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.41 HD13 ' N ' ' A' ' 79' ' ' ILE . 6.2 mm -85.05 88.93 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.514 HD11 ' CG2' ' A' ' 44' ' ' VAL . 2.9 mm -58.53 152.66 3.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -136.14 -47.31 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -166.48 155.96 10.3 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 174.55 12.6 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.485 1.781 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 59.2 m-85 -93.34 166.29 12.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 110.978 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.79 164.58 24.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 102.82 172.32 26.58 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -53.39 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.492 1.785 . . . . 0.0 111.02 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 56.13 89.65 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 110.335 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.29 85.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.002 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 19.5 mp0 -90.59 149.3 22.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.3 tp -139.0 79.72 1.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 111.24 -145.68 17.64 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 146.29 123.69 1.53 Allowed Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.6 t -165.34 138.98 4.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 0.778 . . . . 0.0 110.017 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 174.89 108.71 0.22 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 150.15 37.61 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.452 1.764 . . . . 0.0 110.945 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 37.0 t -174.6 147.38 1.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.967 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.3 m -166.89 106.86 0.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.994 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.467 1.105 . . . . 0.0 110.993 -179.971 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.9 t 40.11 82.45 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.543 0.79 . . . . 0.0 110.031 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m 58.09 167.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.975 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.19 -165.16 11.85 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 m 64.78 164.53 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 0.761 . . . . 0.0 110.034 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -151.21 157.3 42.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 110.018 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.21 -163.58 11.86 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.532 1.145 . . . . 0.0 110.959 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.46 -63.29 1.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 0.788 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.479 ' CZ ' ' HB2' ' A' ' 9' ' ' ARG . 1.2 ttm105 -40.81 -39.12 1.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -76.35 -51.43 11.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -42.84 -52.24 5.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 72.7 t -53.76 -40.42 43.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.46 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 1.8 mm-40 -71.78 -35.27 69.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.156 . . . . 0.0 110.337 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.33 -16.04 63.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 67.0 t80 -92.31 -63.91 1.18 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 111.043 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.444 ' CD1' ' HE1' ' A' ' 55' ' ' PHE . 5.6 m-85 -35.86 -34.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.433 ' N ' ' O ' ' A' ' 15' ' ' TYR . 83.3 m -67.29 -61.58 1.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 108.318 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -41.18 -39.51 1.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.8 m -59.54 -64.58 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 108.276 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.583 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 4.8 t80 -47.89 -35.76 11.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 111.016 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.33 -33.66 61.42 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.2 mtpt -76.29 -26.04 55.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.759 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.434 ' HB3' ' CG1' ' A' ' 80' ' ' ILE . . . -82.65 -45.29 14.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.576 HD13 ' CD2' ' A' ' 20' ' ' TYR . 5.3 mt -57.52 -28.7 63.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.92 -5.4 39.61 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.5 t -74.7 178.8 5.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 0.79 . . . . 0.0 110.392 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 39.2 m -123.11 19.24 9.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.36 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.1 m -125.7 -175.4 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 0.0 109.254 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 68.1 mtp -94.75 122.83 37.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.947 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.483 ' CG1' ' CD2' ' A' ' 20' ' ' TYR . 43.5 t -105.41 136.91 19.16 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 103.02 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.483 1.781 . . . . 0.0 110.992 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.471 ' O ' ' CD1' ' A' ' 34' ' ' TYR . 44.8 t -49.05 118.08 7.16 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.583 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -75.01 78.51 2.88 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.495 1.787 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.471 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 97.4 m-85 -54.01 -64.52 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 111.051 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -37.92 -40.93 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.341 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.547 ' HB3' ' CD2' ' A' ' 84' ' ' PHE . 14.6 mttm -68.22 -69.12 0.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.52 ' CE ' ' CZ ' ' A' ' 78' ' ' PHE . 65.1 mtp -46.55 -44.54 18.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.1 mt -58.1 -49.25 77.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.265 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.1 mtt180 -64.37 -53.54 47.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -131.42 125.26 32.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -96.49 15.91 20.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 81.2 p -92.77 25.54 3.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.996 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -114.89 -60.02 1.94 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.569 HG13 ' CD2' ' A' ' 78' ' ' PHE . 12.0 t -133.02 149.11 31.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.2 t -113.79 153.63 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 78.3 t -113.03 136.19 50.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -144.38 124.59 13.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.263 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.69 30.47 2.59 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.123 . . . . 0.0 110.995 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.416 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 7.6 mt -100.89 165.03 14.98 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.528 0.781 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.416 ' HD2' ' HB3' ' A' ' 49' ' ' LEU . 18.5 Cg_endo -74.96 156.34 43.14 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.521 1.8 . . . . 0.0 111.02 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.63 130.07 45.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.288 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 63.71 49.45 68.62 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.542 1.151 . . . . 0.0 110.971 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 95.0 t -149.8 137.37 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.417 ' O ' ' OH ' ' A' ' 61' ' ' TYR . . . -104.41 176.69 5.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.645 ' CD2' ' O ' ' A' ' 55' ' ' PHE . 32.4 t80 -88.38 13.81 10.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -48.28 173.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.253 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.445 ' ND1' ' OE2' ' A' ' 59' ' ' GLU . 1.7 t-80 -51.06 142.78 17.3 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.616 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.605 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.97 -29.54 8.17 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.526 1.803 . . . . 0.0 111.045 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.445 ' OE2' ' ND1' ' A' ' 57' ' ' HIS . 11.8 pt-20 -48.44 -22.64 0.75 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 61' ' ' TYR . 42.1 m-80 -87.97 -48.99 7.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.605 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.4 m-30 -36.81 141.8 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 111.027 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.58 149.43 36.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.432 HD12 ' CD ' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -40.49 -40.34 1.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.2 -53.34 50.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 99.5 m -55.57 -51.28 67.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.429 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 45.6 mt -50.19 -49.96 50.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.081 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.432 ' CD ' HD12 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -66.19 -35.7 81.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.279 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.454 ' O ' ' N ' ' A' ' 72' ' ' ASN . 63.0 t90 -62.3 -57.89 9.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 108.007 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.482 ' CD1' ' CD2' ' A' ' 61' ' ' TYR . 50.5 mt -43.28 -54.08 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 73.4 mt -60.33 -39.21 86.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.61 -10.68 59.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 68' ' ' TRP . 4.0 m-80 -140.89 42.25 1.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 0.4 OUTLIER -83.29 -36.65 24.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.45 -28.45 30.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -83.44 -26.55 42.78 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.131 . . . . 0.0 110.952 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.476 ' CD1' HG23 ' A' ' 69' ' ' ILE . 66.6 mt -72.33 119.61 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 0.748 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 m -138.06 135.74 36.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.997 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.569 ' CD2' HG13 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -92.07 108.25 19.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.559 1.162 . . . . 0.0 111.04 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.423 HD11 ' N ' ' A' ' 79' ' ' ILE . 4.4 mm -81.83 90.46 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.434 ' CG1' ' HB3' ' A' ' 23' ' ' ALA . 0.3 OUTLIER -68.06 139.98 19.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -126.21 -44.4 1.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.268 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -168.11 156.69 8.3 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.333 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -178.23 4.02 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.507 1.793 . . . . 0.0 111.028 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.547 ' CD2' ' HB3' ' A' ' 36' ' ' LYS . 47.3 m-85 -98.97 148.43 23.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.65 110.47 8.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 139.23 156.38 6.95 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 132.71 15.79 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.458 1.768 . . . . 0.0 111.053 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.6 -55.19 3.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.331 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 30.9 t 61.28 171.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.017 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -69.68 -73.05 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.276 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 69.8 111.44 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 95.69 -94.03 1.64 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.481 1.113 . . . . 0.0 111.029 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 146.67 102.4 0.32 Allowed Glycine 0 CA--C 1.531 1.056 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 m -62.44 159.78 14.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 0.773 . . . . 0.0 110.024 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -157.04 -161.69 10.98 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.444 1.09 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 137.98 22.5 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.513 1.796 . . . . 0.0 110.979 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.92 114.94 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.963 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -159.83 152.06 20.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.035 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.501 1.125 . . . . 0.0 111.014 -179.986 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.06 -58.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 0.749 . . . . 0.0 110.024 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.8 m -69.38 158.3 35.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.998 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.93 -126.48 1.83 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.454 1.096 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t -159.81 133.84 7.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 0.0 110.025 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.0 t -172.82 143.93 1.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.041 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.45 150.66 19.45 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 9' ' ' ARG . 0.5 OUTLIER -67.1 -65.71 0.65 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 0.754 . . . . 0.0 109.336 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.472 ' HD2' ' CB ' ' A' ' 59' ' ' GLU . 18.4 ttp180 -38.44 -50.36 1.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 13' ' ' GLU . 2.7 tmtm? -58.02 -56.77 17.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -41.17 -50.81 3.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.407 ' CG1' ' CE2' ' A' ' 16' ' ' PHE . 75.4 t -56.89 -43.95 81.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.471 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 2.2 mt-10 -66.21 -35.9 81.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -71.66 -25.8 62.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.329 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 40.2 t80 -79.15 -64.23 1.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.447 ' CD1' ' HE1' ' A' ' 55' ' ' PHE . 4.7 m-85 -36.78 -34.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 99.8 m -65.31 -66.04 0.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 108.296 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -37.74 -38.28 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.3 m -61.26 -61.93 2.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 108.297 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.586 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 3.4 t80 -51.25 -43.95 61.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.98 -36.05 92.78 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.7 mttt -73.0 -25.78 61.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 0.765 . . . . 0.0 109.292 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.09 -40.49 15.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.571 HD11 ' CD2' ' A' ' 20' ' ' TYR . 11.6 mt -58.11 -33.77 69.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.27 21.29 10.92 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.447 1.092 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.7 t -103.1 -178.47 3.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.757 . . . . 0.0 110.438 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.2 p -120.66 19.47 11.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.425 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 15.8 m -129.56 -175.36 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 88.7 mtp -98.34 132.02 44.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.511 HG13 ' CD2' ' A' ' 20' ' ' TYR . 93.9 t -111.35 140.16 22.7 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 96.39 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.516 1.798 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.437 ' O ' ' CD1' ' A' ' 34' ' ' TYR . 48.1 t -41.79 115.18 1.42 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.586 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -74.94 87.27 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.453 1.765 . . . . 0.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.437 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 96.0 m-85 -63.18 -66.91 0.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 111.043 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 34' ' ' TYR . 4.6 tt0 -35.35 -43.82 0.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.565 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 37.3 mttt -63.04 -69.44 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.486 ' HE1' ' CE2' ' A' ' 78' ' ' PHE . 78.5 mtp -48.65 -37.24 17.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.5 mt -64.9 -42.33 94.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.359 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -70.06 -50.15 43.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 110.33 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -135.16 118.7 16.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -91.51 18.08 7.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.95 24.69 5.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.997 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -114.41 -55.86 2.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.571 HG13 ' CD2' ' A' ' 78' ' ' PHE . 6.1 t -132.94 150.02 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.7 t -117.03 148.45 19.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.414 HG13 ' CD1' ' A' ' 49' ' ' LEU . 74.5 t -107.62 138.25 34.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -145.63 127.86 15.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.9 29.98 3.62 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.558 1.161 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.424 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 8.7 mt -101.4 165.29 14.36 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.752 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.424 ' HD2' ' HB3' ' A' ' 49' ' ' LEU . 18.3 Cg_endo -74.99 173.15 15.0 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 0.0 111.015 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.455 ' O ' ' CG2' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -65.44 145.22 56.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.307 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 41.8 45.77 4.77 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.513 1.133 . . . . 0.0 110.931 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.455 ' CG2' ' O ' ' A' ' 51' ' ' GLU . 93.8 t -136.73 135.77 48.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 0.757 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.412 ' O ' ' OH ' ' A' ' 61' ' ' TYR . . . -104.44 178.53 4.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.646 ' CD2' ' O ' ' A' ' 55' ' ' PHE . 38.6 t80 -90.23 15.26 10.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.496 ' HG3' ' CE1' ' A' ' 61' ' ' TYR . 11.5 pt20 -47.4 170.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.514 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.6 t-80 -50.93 146.85 9.69 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.641 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.609 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -75.01 -30.87 6.69 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.539 1.81 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.472 ' CB ' ' HD2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -50.14 -21.4 1.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -88.09 -51.19 5.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.255 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.609 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 22.0 m-30 -37.46 140.56 0.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.968 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 65' ' ' THR . 0.4 OUTLIER -74.14 146.97 43.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 62' ' ' ASP . 5.9 tp -39.63 -35.14 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.63 -53.49 22.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 62' ' ' ASP . 37.8 m -55.81 -50.49 70.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.422 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 40.8 mt -49.13 -49.65 41.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.48 -32.97 74.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.4 ' O ' ' N ' ' A' ' 72' ' ' ASN . 62.3 t90 -63.69 -58.56 6.51 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.522 ' CD1' ' CD2' ' A' ' 61' ' ' TYR . 76.4 mt -44.66 -51.77 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.314 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 77.6 mt -60.61 -42.55 97.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.85 -16.76 64.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 68' ' ' TRP . 4.3 m-80 -137.91 46.28 2.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 1.0 OUTLIER -83.31 -42.51 17.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.59 -23.31 4.09 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.142 . . . . 0.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -85.03 -27.21 34.67 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.416 ' N ' ' O ' ' A' ' 73' ' ' LYS . 57.7 mt -72.48 123.34 26.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 0.755 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.9 p -140.6 139.69 34.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.01 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.571 ' CD2' HG13 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -96.08 109.04 21.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 111.042 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.406 ' N ' HD13 ' A' ' 79' ' ' ILE . 4.4 mm -83.56 89.9 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.24 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.502 HD12 ' CG2' ' A' ' 44' ' ' VAL . 0.5 OUTLIER -65.75 146.74 13.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.269 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -131.81 -48.41 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.238 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -163.6 157.41 16.56 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 110.315 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -177.63 3.61 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.532 1.806 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.565 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 23.2 m-85 -99.66 151.5 21.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -82.48 125.76 31.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 135.49 154.41 6.98 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.523 1.139 . . . . 0.0 111.053 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 174.59 12.53 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.505 1.792 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -156.04 101.86 2.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.278 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.93 118.53 21.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 109.983 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -102.04 138.8 38.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -174.95 148.38 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 131.82 163.24 10.72 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.51 1.131 . . . . 0.0 110.969 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 125.75 96.82 1.06 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 53.8 p -139.99 159.56 41.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 0.764 . . . . 0.0 110.03 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 176.36 97.23 0.11 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.457 1.098 . . . . 0.0 111.022 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 146.53 32.78 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.503 1.791 . . . . 0.0 110.951 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.62 114.55 1.85 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.035 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.26 133.27 16.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.994 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -129.96 -57.98 1.09 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 0.734 . . . . 0.0 109.967 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 p 55.88 169.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.997 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.38 80.55 0.29 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.507 1.129 . . . . 0.0 111.015 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.7 t -177.66 158.41 1.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 0.765 . . . . 0.0 110.055 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.3 m -138.24 166.86 23.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.973 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.85 -150.91 23.24 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.467 ' CD2' ' HG3' ' A' ' 67' ' ' LYS . 0.6 OUTLIER -61.25 -57.87 10.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 0.746 . . . . 0.0 109.339 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -41.85 -50.92 4.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.26 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 13' ' ' GLU . 0.7 OUTLIER -67.03 -49.3 65.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -45.58 -51.27 12.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.401 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 45.8 t -55.09 -35.11 33.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.448 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 2.4 mm-40 -76.34 -42.65 44.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 110.274 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.27 -15.83 28.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.525 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 76.6 t80 -90.45 -66.18 0.95 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.977 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.427 ' CD1' ' HE1' ' A' ' 55' ' ' PHE . 6.4 m-85 -35.91 -36.52 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 83.9 m -63.75 -61.67 2.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 108.307 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -43.92 -35.69 2.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 12.9 m -63.74 -61.38 2.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 108.257 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.597 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 3.3 t80 -51.87 -37.05 50.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.38 -32.41 65.06 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.48 1.113 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -77.43 -26.74 51.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 0.736 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.58 -44.77 15.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.522 HD12 ' CD2' ' A' ' 20' ' ' TYR . 4.9 mt -57.82 -33.19 68.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.42 24.61 10.03 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.524 1.14 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.8 t -100.46 172.65 6.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 0.759 . . . . 0.0 110.406 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 39.3 m -111.93 19.66 17.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.429 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 11.8 m -132.98 -173.86 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 78.0 mtp -98.64 133.05 43.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.551 HG12 ' CD2' ' A' ' 20' ' ' TYR . 65.3 t -114.59 136.74 22.45 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 18.3 Cg_endo -75.0 107.69 2.54 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.508 1.794 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 43.7 t -51.59 116.87 8.49 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.597 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -74.98 82.49 1.99 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.51 1.795 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.406 ' O ' ' C ' ' A' ' 35' ' ' GLU . 67.6 m-85 -59.16 -65.22 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 34' ' ' TYR . 1.4 tp10 -38.27 -37.55 0.29 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.566 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 17.9 mtpt -69.58 -67.48 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.514 ' HE2' ' CE2' ' A' ' 78' ' ' PHE . 72.4 mtp -50.43 -41.97 53.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.976 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 26.6 mt -59.62 -39.88 85.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -74.26 -53.77 9.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.319 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -127.36 120.04 27.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -93.64 18.1 10.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.5 m -99.56 27.23 5.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.039 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -116.21 -55.67 2.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.572 HG13 ' CD2' ' A' ' 78' ' ' PHE . 9.2 t -136.19 149.73 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 24.7 t -116.14 145.99 21.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.339 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.431 HG13 ' CD1' ' A' ' 49' ' ' LEU . 72.6 t -104.84 136.57 37.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -143.68 124.33 14.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.266 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.4 ' O ' ' CG1' ' A' ' 76' ' ' ILE . . . 113.71 29.21 2.95 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.431 ' CD1' HG13 ' A' ' 46' ' ' VAL . 8.5 mt -101.33 165.2 14.54 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.488 0.758 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.474 ' HG2' ' CG1' ' A' ' 53' ' ' VAL . 18.3 Cg_endo -75.02 168.74 24.15 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.447 ' O ' ' CG2' ' A' ' 53' ' ' VAL . 11.8 tt0 -62.44 144.75 55.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 42.47 45.51 5.45 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.56 1.163 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.474 ' CG1' ' HG2' ' A' ' 50' ' ' PRO . 94.8 t -136.7 131.1 47.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.542 0.789 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -99.66 173.58 6.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.643 ' CD2' ' O ' ' A' ' 55' ' ' PHE . 32.5 t80 -86.97 14.89 6.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 111.039 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.446 ' HG3' ' CE1' ' A' ' 61' ' ' TYR . 11.6 pt20 -45.52 169.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.444 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.7 t-80 -50.15 144.83 10.58 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.57 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.613 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.96 -28.56 9.14 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.549 1.815 . . . . 0.0 111.005 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.26 -19.87 2.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 61' ' ' TYR . 40.2 m-80 -89.87 -49.83 6.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.613 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.8 m-30 -37.08 137.0 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' LEU . 3.4 m-20 -71.01 147.17 48.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' ASP . 2.1 tp -39.66 -32.9 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.132 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.402 ' N ' ' C ' ' A' ' 62' ' ' ASP . . . -70.52 -56.29 6.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 56.7 m -53.18 -50.35 64.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.39 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 41.4 mt -48.23 -51.17 26.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.467 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -65.91 -32.53 74.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.405 ' O ' ' N ' ' A' ' 72' ' ' ASN . 50.9 t90 -63.74 -57.64 9.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 108.005 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.536 ' CD1' ' CD2' ' A' ' 61' ' ' TYR . 35.2 mt -45.63 -49.45 4.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.467 ' CD1' HD22 ' A' ' 8' ' ' LEU . 48.8 mt -63.95 -38.22 90.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.14 -7.7 54.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' A' ' 68' ' ' TRP . 5.5 m-80 -144.17 40.41 1.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.525 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 5.7 pttt -85.81 -34.25 21.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.79 -19.62 12.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -94.73 -23.56 20.55 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.467 ' CD1' HG23 ' A' ' 69' ' ' ILE . 67.6 mt -73.03 122.95 26.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 0.784 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.9 p -141.29 139.79 33.73 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 110.032 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.572 ' CD2' HG13 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -95.22 108.18 20.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 110.952 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.419 ' N ' HD12 ' A' ' 79' ' ' ILE . 4.3 mm -82.27 90.08 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.471 HD11 ' CG2' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -65.24 144.03 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.152 . . . . 0.0 109.334 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -129.54 -45.78 1.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -168.03 156.5 8.31 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 179.4 6.12 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.501 1.79 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.566 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 41.1 m-85 -96.33 172.12 8.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.1 mp -101.84 105.98 16.9 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -120.98 162.12 14.81 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 177.5 8.51 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.528 1.804 . . . . 0.0 110.988 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -166.75 98.04 0.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 48.2 p -146.33 152.63 39.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.004 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -136.58 156.79 48.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.24 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -146.09 -53.49 0.26 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 116.37 146.35 8.55 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.508 1.13 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -173.71 -116.63 0.43 Allowed Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.3 t 61.35 155.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 0.771 . . . . 0.0 109.995 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -164.25 80.09 0.13 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.131 . . . . 0.0 111.033 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 144.75 30.69 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.484 1.781 . . . . 0.0 110.987 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 24.4 p -156.33 132.28 9.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.994 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.67 164.14 14.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.954 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -54.62 107.54 0.3 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 0.764 . . . . 0.0 110.017 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.1 p 47.98 96.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.008 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.63 178.93 44.89 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.72 170.57 7.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 0.749 . . . . 0.0 109.982 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.3 t -179.16 103.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.996 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.24 169.32 45.83 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.533 1.146 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.463 ' CD2' ' HG3' ' A' ' 67' ' ' LYS . 0.6 OUTLIER -80.98 -57.23 3.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 0.731 . . . . 0.0 109.326 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.468 ' CD ' ' HA ' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -38.37 -53.79 1.49 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -63.89 -52.48 59.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -39.74 -42.38 1.24 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.428 ' CG1' ' CE2' ' A' ' 16' ' ' PHE . 96.8 t -67.91 -59.05 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.46 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 2.4 mt-10 -51.87 -25.34 7.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.265 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -74.65 -29.3 61.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.511 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 78.6 t80 -80.85 -61.81 1.85 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.098 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.431 ' CD1' ' HE1' ' A' ' 55' ' ' PHE . 6.1 m-85 -36.36 -36.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.994 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 70.9 m -65.34 -65.15 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 108.289 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -40.73 -31.63 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.0 m -67.38 -63.74 1.0 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 108.301 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.592 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 5.9 t80 -49.26 -37.66 24.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.31 -36.54 70.36 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.472 1.108 . . . . 0.0 110.954 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -71.41 -25.52 62.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 0.794 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.17 -46.81 12.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.568 HD12 ' CD2' ' A' ' 20' ' ' TYR . 4.4 mt -58.72 -21.39 54.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.15 30.97 18.42 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 111.023 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.7 t -106.19 171.42 7.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.752 . . . . 0.0 110.399 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.4 m -112.99 20.86 15.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.407 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 15.4 m -134.16 -177.69 2.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 61.7 mtp -92.77 135.17 34.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.534 HG13 ' CE2' ' A' ' 20' ' ' TYR . 46.5 t -116.4 137.47 23.58 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 106.66 2.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.467 1.772 . . . . 0.0 110.991 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.525 ' O ' ' CD1' ' A' ' 34' ' ' TYR . 56.0 t -51.19 117.33 8.77 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.256 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.592 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -75.07 74.66 3.97 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.458 1.767 . . . . 0.0 110.963 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.525 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 95.1 m-85 -52.29 -64.52 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -38.46 -38.85 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.527 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 5.8 mtpt -70.09 -69.38 0.36 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 79.7 mtp -47.82 -48.28 30.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.6 mt -53.53 -49.83 66.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -61.8 -56.14 22.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.65 125.08 35.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -95.22 18.8 11.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.83 29.24 3.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.021 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -121.22 -54.41 2.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 109.342 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.604 HG13 ' CD2' ' A' ' 78' ' ' PHE . 10.8 t -135.92 142.84 37.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.6 t -109.67 147.36 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 79.3 t -106.89 138.72 31.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -145.25 126.97 15.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 110.258 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.73 31.06 3.05 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.561 1.163 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.418 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 7.0 mt -102.66 165.15 14.25 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.466 ' HG2' ' CG1' ' A' ' 53' ' ' VAL . 18.3 Cg_endo -75.02 172.25 16.74 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.521 1.801 . . . . 0.0 110.946 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.49 ' O ' ' CG2' ' A' ' 53' ' ' VAL . 25.3 tt0 -62.63 146.2 52.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 110.331 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 38.07 48.18 2.01 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.538 1.149 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 51' ' ' GLU . 92.8 t -136.82 131.94 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -101.36 172.55 6.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.153 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.645 ' CD2' ' O ' ' A' ' 55' ' ' PHE . 33.4 t80 -85.05 13.3 6.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 57' ' ' HIS . 13.3 pt20 -49.61 162.47 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.451 ' ND1' ' OE1' ' A' ' 59' ' ' GLU . 1.7 t-80 -39.96 142.33 0.7 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.578 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.604 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -75.02 -27.8 9.67 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.447 1.762 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.468 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 12.2 pt-20 -50.39 -20.9 1.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 61' ' ' TYR . 56.6 m-80 -89.02 -48.23 7.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.604 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.8 m-30 -36.83 147.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' LEU . 3.5 m-20 -82.54 148.97 27.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' ASP . 16.8 tp -39.86 -36.41 0.45 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.99 -56.72 7.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.107 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 73.1 m -52.13 -48.35 64.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.427 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 53.9 mt -53.04 -55.11 26.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.463 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -63.52 -28.25 69.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.428 ' O ' ' N ' ' A' ' 71' ' ' GLU . 72.5 t90 -68.24 -63.02 1.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 107.979 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 73' ' ' LYS . 75.1 mt -42.11 -49.72 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.403 ' CD1' HD22 ' A' ' 8' ' ' LEU . 90.8 mt -60.69 -43.03 98.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 68' ' ' TRP . 0.8 OUTLIER -68.3 -17.49 64.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -135.56 45.81 2.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.511 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 0.7 OUTLIER -81.19 -41.89 21.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.91 -25.6 3.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -83.46 -27.43 39.45 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.46 1.1 . . . . 0.0 110.984 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.443 ' N ' ' O ' ' A' ' 73' ' ' LYS . 37.4 mt -71.53 122.98 24.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 0.779 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.8 p -142.89 135.15 27.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.994 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.604 ' CD2' HG13 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -91.14 106.35 18.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.426 HD13 ' N ' ' A' ' 79' ' ' ILE . 4.7 mm -81.37 88.92 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.44 HD12 ' CG2' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -66.15 131.06 31.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -114.57 -40.19 3.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -174.37 156.64 2.36 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.324 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 178.61 7.04 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.535 1.808 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.527 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 64.6 m-85 -95.96 146.65 24.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.94 161.79 29.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 77.9 171.45 37.4 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.526 1.141 . . . . 0.0 111.04 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 152.64 41.13 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.541 1.811 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.21 156.97 47.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.27 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.8 t 65.88 122.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.98 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.54 145.99 24.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 110.312 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 45.1 tp -138.17 152.63 48.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 167.45 136.51 2.05 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 124.76 103.36 1.48 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.16 154.53 3.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 0.754 . . . . 0.0 110.026 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 103.4 86.9 1.97 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.12 . . . . 0.0 110.962 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 171.72 17.78 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.52 1.8 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.3 t 60.61 158.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.98 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 35.2 p 178.18 -58.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.986 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.507 1.13 . . . . 0.0 110.974 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.59 -59.03 1.45 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.554 0.796 . . . . 0.0 110.02 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.2 m -93.36 158.25 15.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.97 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.95 112.52 1.24 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.9 m -165.39 158.85 16.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 0.781 . . . . 0.0 109.996 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.4 m 62.65 114.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.04 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.16 -163.68 31.39 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.446 HD23 ' CD1' ' A' ' 70' ' ' LEU . 0.4 OUTLIER -93.85 -67.07 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 8' ' ' LEU . 2.2 ttm180 -38.04 -48.71 1.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 110.329 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -49.9 65.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -43.85 -47.71 8.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 78.5 t -59.15 -44.92 92.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.454 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 1.8 mm-40 -66.59 -31.18 71.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.321 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.74 -20.93 63.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.561 ' CE2' ' HB2' ' A' ' 73' ' ' LYS . 79.5 t80 -88.4 -62.96 1.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.439 1.087 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.446 ' CD1' ' HE1' ' A' ' 55' ' ' PHE . 5.7 m-85 -36.14 -40.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 99.4 m -60.47 -63.01 1.45 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.105 . . . . 0.0 108.268 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -40.96 -38.57 0.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.961 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.7 m -62.58 -58.89 5.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 108.296 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.593 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 4.5 t80 -51.94 -40.63 61.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.11 -38.08 92.05 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -70.53 -25.88 63.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 0.754 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.414 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -83.11 -46.14 13.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.587 HD12 ' CD2' ' A' ' 20' ' ' TYR . 4.4 mt -57.52 -26.02 60.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.62 -8.9 52.0 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.122 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.0 t -71.96 168.08 18.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 0.746 . . . . 0.0 110.433 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.2 m -110.63 14.98 22.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.364 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 11.0 m -122.96 -178.36 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 60.3 mtp -92.78 127.27 38.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.459 HG11 ' CD1' ' A' ' 24' ' ' LEU . 53.6 t -110.37 138.95 21.06 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 18.6 Cg_endo -74.95 111.82 3.42 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.49 1.784 . . . . 0.0 111.063 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 49.5 t -56.95 116.45 13.37 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.593 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.4 Cg_endo -74.99 81.17 2.26 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.455 1.766 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.411 ' O ' ' C ' ' A' ' 35' ' ' GLU . 35.7 m-85 -58.42 -62.81 1.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -38.26 -32.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.552 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 16.9 mttm -76.73 -67.76 0.67 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.57 ' HE1' ' CE2' ' A' ' 78' ' ' PHE . 61.0 mtp -48.58 -37.12 17.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.2 mt -64.46 -41.55 96.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.3 mtt180 -71.15 -53.49 14.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -128.89 120.84 26.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -93.26 18.27 9.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 m -101.01 30.29 4.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 110.001 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -116.57 -60.74 1.82 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.571 HG13 ' CD2' ' A' ' 78' ' ' PHE . 13.2 t -133.21 142.05 43.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.4 t -104.42 154.82 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 74.3 t -113.6 138.97 41.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -144.93 127.82 16.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.58 33.32 2.7 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.41 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 7.6 mt -105.31 164.44 15.09 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.477 0.751 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.41 ' HD2' ' HB3' ' A' ' 49' ' ' LEU . 18.2 Cg_endo -75.02 156.96 42.91 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.5 1.79 . . . . 0.0 110.977 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -57.33 132.26 52.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 59.34 50.45 67.59 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 99.0 t -148.6 130.08 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 0.747 . . . . 0.0 109.332 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.38 174.52 6.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.642 ' CD2' ' O ' ' A' ' 55' ' ' PHE . 37.9 t80 -86.26 14.73 6.06 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -47.75 163.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.262 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.409 ' ND1' ' HD2' ' A' ' 58' ' ' PRO . 1.7 t-80 -42.77 143.26 1.22 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 109.589 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.603 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -74.99 -28.34 9.26 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.531 1.806 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.4 -20.59 1.84 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 61' ' ' TYR . 29.2 m-80 -89.26 -48.3 7.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.603 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.5 m-30 -37.06 146.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 63' ' ' LEU . 1.2 m-20 -82.2 152.98 26.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.462 ' CD1' ' HE3' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -39.71 -48.86 2.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 68' ' ' TRP . . . -56.74 -58.31 8.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 88.7 m -50.32 -53.81 26.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.445 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 44.0 mt -47.96 -52.29 20.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.462 ' HE3' ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -67.61 -28.73 67.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.328 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.441 ' N ' ' O ' ' A' ' 64' ' ' ALA . 57.4 t90 -66.61 -57.92 6.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 107.988 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.484 ' CD1' ' CE2' ' A' ' 61' ' ' TYR . 48.9 mt -47.76 -46.07 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.446 ' CD1' HD23 ' A' ' 8' ' ' LEU . 61.0 mt -64.98 -39.75 93.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.244 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.23 -13.12 61.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.122 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -141.32 43.34 1.77 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.561 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . 11.5 pttp -80.97 -41.67 22.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.43 -22.35 2.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -87.44 -24.66 35.7 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' A' ' 73' ' ' LYS . 42.8 mt -72.41 121.82 23.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.469 0.747 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.6 m -138.33 142.8 39.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.985 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.571 ' CD2' HG13 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -101.27 109.37 21.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 111.032 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.423 HD13 ' N ' ' A' ' 79' ' ' ILE . 5.2 mm -83.36 90.2 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.458 HD12 ' CG2' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -64.85 139.46 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -125.61 -46.84 1.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.1 ptt180 -167.16 156.58 9.58 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.27 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 178.58 7.07 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.449 1.763 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.552 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 49.5 m-85 -94.82 -179.97 5.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.76 131.74 54.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 134.8 156.57 7.79 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -173.78 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.482 1.78 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -136.9 136.56 38.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.323 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.13 125.99 52.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.023 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.68 103.07 5.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.258 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 58.4 102.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -174.55 163.26 33.72 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 110.952 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 142.6 91.95 0.17 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.0 m -79.41 91.49 5.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 0.793 . . . . 0.0 110.01 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -108.87 140.51 15.63 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.526 1.142 . . . . 0.0 111.031 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 123.52 7.94 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.464 1.77 . . . . 0.0 110.973 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.8 t -109.14 105.0 14.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.102 . . . . 0.0 110.035 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.9 m -63.39 -59.61 4.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.938 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.557 1.161 . . . . 0.0 110.992 -179.943 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -170.05 100.06 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 0.797 . . . . 0.0 109.986 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.8 t -62.07 128.24 35.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.036 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 49.7 -153.3 3.16 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.477 1.111 . . . . 0.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.22 88.52 2.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.755 . . . . 0.0 110.041 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 t 62.47 149.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.977 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.79 -176.5 15.36 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.46 ' CD2' ' HG3' ' A' ' 67' ' ' LYS . 0.5 OUTLIER -93.43 -66.62 0.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 0.769 . . . . 0.0 109.271 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 8' ' ' LEU . 14.1 ttp180 -37.93 -52.6 1.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -50.33 71.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -44.97 -43.33 8.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 74.8 t -61.65 -50.87 78.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.477 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 3.0 mt-10 -57.3 -36.41 71.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 110.331 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -60.58 -40.05 90.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.515 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 67.1 t80 -67.84 -64.67 0.81 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 110.99 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.452 ' CD1' ' HE1' ' A' ' 55' ' ' PHE . 6.9 m-85 -36.03 -45.18 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 77.4 m -62.45 -55.01 31.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 108.317 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 15' ' ' TYR . 1.1 t80 -50.87 -30.52 14.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.6 m -69.69 -57.16 5.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 108.266 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.57 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 2.9 t80 -54.45 -38.74 66.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.25 -35.0 76.1 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt -73.8 -25.63 60.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 0.743 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.74 -45.3 13.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.462 HD12 ' CG ' ' A' ' 20' ' ' TYR . 3.9 mt -58.97 -33.64 70.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.58 26.26 7.31 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.4 t -107.2 162.97 13.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.77 . . . . 0.0 110.405 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.5 m -105.14 21.76 16.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.41 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.8 m -131.21 -177.96 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.3 mtm -95.64 133.51 39.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.969 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.448 HG11 ' CD2' ' A' ' 20' ' ' TYR . 58.8 t -111.11 139.26 21.65 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 32' ' ' VAL . 18.3 Cg_endo -74.98 92.55 0.98 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.481 1.779 . . . . 0.0 110.973 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.499 ' O ' ' CD1' ' A' ' 34' ' ' TYR . 56.1 t -40.2 115.52 1.14 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.57 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -75.06 82.2 2.07 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.515 1.798 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.499 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 94.6 m-85 -59.53 -63.76 1.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -38.92 -39.13 0.5 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 110.334 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.562 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 1.3 mtpp -67.75 -69.23 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.504 ' HE2' ' CE2' ' A' ' 78' ' ' PHE . 77.9 mtp -49.22 -41.8 38.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 111.038 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.3 mt -59.71 -49.08 79.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.2 mtt180 -62.99 -53.85 47.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -132.68 125.77 31.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 109.273 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -96.48 19.02 12.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.324 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 m -95.55 27.15 3.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.967 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -119.48 -52.64 2.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.523 ' CG2' HD13 ' A' ' 80' ' ' ILE . 5.9 t -137.53 151.94 26.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 27.2 t -119.31 145.01 26.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 79.3 t -104.09 137.24 33.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -144.74 125.77 14.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.261 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 112.66 31.42 2.55 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.416 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 7.7 mt -103.2 164.47 15.42 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.472 0.748 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.416 ' HD2' ' HB3' ' A' ' 49' ' ' LEU . 18.3 Cg_endo -74.96 157.28 43.03 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.591 1.837 . . . . 0.0 110.981 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -59.23 129.11 40.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 110.289 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 65.31 48.99 63.63 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.56 1.162 . . . . 0.0 111.049 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 85.7 t -150.23 135.48 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.441 0.73 . . . . 0.0 109.321 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.412 ' O ' ' OH ' ' A' ' 61' ' ' TYR . . . -103.17 178.35 4.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.642 ' CD2' ' O ' ' A' ' 55' ' ' PHE . 45.5 t80 -88.78 15.1 8.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -50.9 166.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.418 ' ND1' ' OE2' ' A' ' 59' ' ' GLU . 1.7 t-80 -43.3 142.11 1.73 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.589 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.599 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.95 -28.54 9.17 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.419 1.747 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.418 ' OE2' ' ND1' ' A' ' 57' ' ' HIS . 12.4 pt-20 -49.6 -21.88 1.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 61' ' ' TYR . 32.1 m-80 -88.67 -48.21 7.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.599 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.1 m-30 -37.01 139.32 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 111.012 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 63' ' ' LEU . 2.5 m-20 -74.44 150.97 39.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.458 ' CD2' ' HE2' ' A' ' 67' ' ' LYS . 1.3 tp -39.24 -51.45 1.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 68' ' ' TRP . . . -54.67 -54.31 43.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 83.7 m -53.47 -55.32 26.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.423 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 44.1 mt -47.0 -49.45 20.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.361 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.46 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -69.37 -29.49 67.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.408 ' N ' ' O ' ' A' ' 64' ' ' ALA . 61.3 t90 -65.78 -58.52 5.45 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.49 ' CD1' ' CD2' ' A' ' 61' ' ' TYR . 68.4 mt -46.01 -49.92 4.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 70.5 mt -60.89 -43.5 98.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.45 -18.41 65.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -135.72 46.78 2.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.15 . . . . 0.0 109.321 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 1.5 ptmm? -82.35 -43.4 17.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.95 -23.47 2.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -83.76 -27.0 39.79 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.467 1.104 . . . . 0.0 111.004 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.438 ' N ' ' O ' ' A' ' 73' ' ' LYS . 57.7 mt -72.19 122.85 25.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.529 0.782 . . . . 0.0 109.308 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.8 m -141.73 135.15 29.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.001 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.504 ' CE2' ' HE2' ' A' ' 37' ' ' MET . 0.2 OUTLIER -92.01 108.09 19.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.414 ' N ' HD12 ' A' ' 79' ' ' ILE . 4.8 mm -83.55 91.08 2.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.523 HD13 ' CG2' ' A' ' 44' ' ' VAL . 0.9 OUTLIER -65.77 150.88 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -137.29 -47.34 0.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 109.247 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -164.3 156.3 14.31 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.276 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -176.05 2.68 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.458 1.767 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.562 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 27.5 m-85 -100.32 162.65 12.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.4 mp -96.86 159.09 15.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 102.68 158.32 25.66 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.477 1.11 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 174.47 12.71 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.476 1.777 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -156.65 142.12 17.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.32 143.66 30.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.022 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -167.73 114.92 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.33 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.4 tp -163.61 149.31 11.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -118.01 -166.33 13.77 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -176.34 136.03 3.1 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.84 146.9 2.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 110.074 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -173.96 103.03 0.18 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.14 . . . . 0.0 110.987 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 176.47 9.88 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.499 1.789 . . . . 0.0 110.964 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 83.5 p -152.62 172.06 17.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.961 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.8 t -146.51 155.6 42.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.997 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 m -96.74 134.69 39.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 0.0 109.971 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.3 t -82.14 84.91 6.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.024 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.14 -99.87 1.68 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.542 1.151 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.0 t 46.69 87.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.409 0.711 . . . . 0.0 110.002 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 173.54 105.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.005 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.59 163.23 26.17 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.468 ' CD2' ' HG3' ' A' ' 67' ' ' LYS . 0.6 OUTLIER -67.3 -57.77 6.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 0.759 . . . . 0.0 109.264 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.7 mtm180 -43.43 -45.99 6.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 13' ' ' GLU . 10.2 mmtm -70.39 -52.59 21.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -40.64 -53.14 2.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 83.1 t -54.33 -44.33 65.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.467 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 2.6 mt-10 -68.75 -30.21 68.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -74.74 -16.36 60.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 33.1 t80 -92.06 -60.73 1.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.428 ' CD1' ' HE1' ' A' ' 55' ' ' PHE . 4.1 m-85 -37.63 -39.56 0.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 89.8 m -64.12 -53.51 48.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 108.288 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.463 ' N ' ' O ' ' A' ' 15' ' ' TYR . 1.5 t80 -49.55 -28.21 5.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.0 m -73.92 -58.99 2.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 108.28 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.592 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 4.6 t80 -53.22 -35.85 60.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.35 -35.4 60.09 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.4 mttm -73.6 -26.44 60.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 0.736 . . . . 0.0 109.268 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.8 -44.61 15.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.353 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.559 HD12 ' CD2' ' A' ' 20' ' ' TYR . 5.5 mt -59.3 -32.43 70.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.138 . . . . 0.0 109.297 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.27 28.13 7.36 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.9 t -109.65 152.58 25.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 110.386 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.7 p -94.01 23.53 4.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 110.413 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.0 m -132.73 -174.63 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.7 mtm -99.75 131.82 45.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.513 HG11 ' CD2' ' A' ' 20' ' ' TYR . 59.1 t -109.41 138.38 20.52 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 101.06 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.476 1.777 . . . . 0.0 110.986 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.446 ' O ' ' CD1' ' A' ' 34' ' ' TYR . 51.5 t -47.66 113.75 2.78 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.592 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -75.02 83.97 1.74 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.485 1.782 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.446 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 96.4 m-85 -60.16 -64.92 0.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 111.034 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -36.66 -40.16 0.24 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.554 1.159 . . . . 0.0 110.317 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.55 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 67.4 mttt -69.47 -69.12 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.535 ' HE2' ' CE2' ' A' ' 78' ' ' PHE . 89.6 mtp -47.7 -37.37 12.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.8 mt -65.48 -51.49 59.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -60.22 -53.12 61.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -130.47 127.67 39.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -98.54 16.19 22.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.246 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.22 27.49 3.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.983 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -118.85 -54.48 2.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.261 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.573 HG11 ' CD2' ' A' ' 78' ' ' PHE . 8.2 t -136.7 152.21 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.273 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.6 t -119.35 150.52 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 69.5 t -110.02 136.65 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -144.94 124.09 12.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.267 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 115.22 30.16 2.35 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.416 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 7.0 mt -101.73 164.55 15.67 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.416 ' HD2' ' HB3' ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.01 158.55 42.1 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.477 1.778 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.61 129.74 43.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 64.17 49.51 66.07 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 89.6 t -150.99 135.86 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.258 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.418 ' O ' ' OH ' ' A' ' 61' ' ' TYR . . . -103.61 -179.88 4.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.639 ' CD2' ' O ' ' A' ' 55' ' ' PHE . 44.6 t80 -89.88 14.75 11.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -49.6 165.77 0.06 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.403 ' ND1' ' HD2' ' A' ' 58' ' ' PRO . 1.7 t-80 -44.28 143.11 2.04 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.568 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.602 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.0 -29.0 8.69 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 0.0 110.99 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -48.8 -22.5 0.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 61' ' ' TYR . 32.1 m-80 -87.58 -49.34 7.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.602 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.1 m-30 -37.35 144.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 65' ' ' THR . 1.8 m-20 -78.38 147.65 34.01 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.4 tp -40.27 -36.69 0.55 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.2 -54.08 24.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 62' ' ' ASP . 93.5 m -54.83 -51.03 67.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.364 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 38.9 mt -48.6 -50.51 32.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.468 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -67.15 -31.52 72.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 63.3 t90 -64.94 -58.64 5.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 107.99 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.476 ' CD1' ' CD2' ' A' ' 61' ' ' TYR . 73.3 mt -45.08 -52.12 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 90.2 mt -59.99 -43.35 95.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.262 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.91 -17.61 64.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.251 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -136.04 45.3 2.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 1.7 ptmm? -81.04 -42.14 21.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.73 -23.74 2.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.63 -28.28 32.88 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.494 1.121 . . . . 0.0 111.017 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 73' ' ' LYS . 60.7 mt -72.23 119.72 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 0.778 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 m -138.05 136.87 37.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.573 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -93.62 110.82 22.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.945 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.415 ' N ' HD12 ' A' ' 79' ' ' ILE . 4.7 mm -84.25 91.04 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.579 1.174 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.513 HD12 ' CG2' ' A' ' 44' ' ' VAL . 0.8 OUTLIER -68.58 142.45 16.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -129.39 -45.89 1.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -163.47 155.4 15.04 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 176.55 9.77 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.523 1.802 . . . . 0.0 110.951 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.55 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 45.1 m-85 -92.23 164.45 13.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 111.032 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.2 mt -90.79 99.61 12.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 159.32 174.31 28.88 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 155.37 42.6 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.525 1.803 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.05 144.02 45.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 110.325 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.43 149.8 15.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.006 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -116.79 -36.47 3.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.83 -178.17 5.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 159.45 119.37 0.54 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.446 1.091 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 117.82 -177.63 16.63 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.4 t -179.04 151.81 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 0.759 . . . . 0.0 109.991 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -124.36 155.05 18.05 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.509 1.13 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -173.83 1.71 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.473 1.775 . . . . 0.0 111.01 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 24.4 t -146.15 136.17 23.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.018 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.66 168.63 5.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 O-C-N 124.553 1.158 . . . . 0.0 111.02 179.991 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.69 135.58 38.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.566 0.803 . . . . 0.0 109.956 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.4 m -63.15 154.45 31.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.022 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.2 109.41 3.76 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.546 1.154 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -80.21 128.29 33.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 0.747 . . . . 0.0 109.942 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.6 t -104.72 109.31 21.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.971 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.41 -177.56 28.79 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.128 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.451 ' CD2' ' HG3' ' A' ' 67' ' ' LYS . 0.5 OUTLIER -65.61 -65.3 0.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 0.746 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 8' ' ' LEU . 11.8 ttp180 -38.33 -55.5 1.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 13' ' ' GLU . 0.4 OUTLIER -58.79 -49.72 76.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -46.47 -46.1 18.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.441 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 49.4 t -60.18 -36.69 69.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.469 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 2.3 mt-10 -72.9 -39.36 66.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.334 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.34 -21.53 66.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 44.9 t80 -83.51 -66.76 0.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.945 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.436 ' CD1' ' HE1' ' A' ' 55' ' ' PHE . 6.6 m-85 -36.71 -37.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.953 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 78.6 m -64.04 -67.02 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 108.324 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -40.55 -33.85 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 62.6 m -65.89 -60.67 2.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 108.299 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.588 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 4.9 t80 -52.93 -36.47 59.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.76 -33.35 63.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -75.56 -26.55 58.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.759 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.87 -44.91 14.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.575 HD11 ' CD2' ' A' ' 20' ' ' TYR . 5.4 mt -57.66 -27.06 62.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.85 31.08 7.95 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.0 t -110.14 168.4 9.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 0.756 . . . . 0.0 110.411 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.416 ' CG2' ' O ' ' A' ' 27' ' ' THR . 8.4 m -109.12 20.98 17.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.369 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.8 m -133.34 -176.73 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 80.6 mtp -94.65 136.24 35.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.469 HG22 ' CD1' ' A' ' 24' ' ' LEU . 62.0 t -116.41 137.27 23.43 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 105.69 2.13 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.535 1.808 . . . . 0.0 111.036 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.461 ' O ' ' CD1' ' A' ' 34' ' ' TYR . 55.7 t -51.62 114.48 5.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.588 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -75.0 81.43 2.21 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.462 1.769 . . . . 0.0 111.035 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.461 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 97.0 m-85 -57.6 -64.76 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 34' ' ' TYR . 2.2 tp10 -37.18 -39.06 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.473 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 15.0 mttm -71.13 -69.01 0.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.557 ' HE3' ' CE2' ' A' ' 78' ' ' PHE . 90.0 mtp -47.19 -38.37 11.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.7 mt -65.83 -48.51 71.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.247 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.9 mtt-85 -63.36 -50.18 70.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.338 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.57 124.81 30.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -97.51 17.22 18.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.3 26.86 5.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.961 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -116.84 -52.93 2.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.571 HG13 ' CD2' ' A' ' 78' ' ' PHE . 10.5 t -139.44 152.12 23.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.6 t -117.88 155.61 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.426 HG12 ' CD1' ' A' ' 49' ' ' LEU . 75.2 t -114.76 135.05 55.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -142.76 125.17 15.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.273 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.36 27.6 3.58 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.426 ' CD1' HG12 ' A' ' 46' ' ' VAL . 7.9 mt -99.41 165.1 15.39 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.499 0.764 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.468 ' HG2' ' CG1' ' A' ' 53' ' ' VAL . 18.2 Cg_endo -75.02 172.5 16.24 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.447 1.762 . . . . 0.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.454 ' O ' ' CG2' ' A' ' 53' ' ' VAL . 6.0 tt0 -64.56 144.16 57.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 41.78 46.01 4.79 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.466 1.104 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.468 ' CG1' ' HG2' ' A' ' 50' ' ' PRO . 95.3 t -136.65 129.34 45.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 0.781 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.79 177.02 5.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.642 ' CD2' ' O ' ' A' ' 55' ' ' PHE . 34.2 t80 -89.6 15.15 9.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.983 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.482 ' HG3' ' CE1' ' A' ' 61' ' ' TYR . 8.6 pt20 -46.87 170.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.521 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.5 t-80 -50.58 147.1 8.52 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.617 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.598 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -74.98 -31.8 5.93 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.485 1.782 . . . . 0.0 111.033 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -49.17 -22.02 0.89 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -88.13 -49.68 6.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.598 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.6 m-30 -38.37 139.25 0.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 63' ' ' LEU . 4.8 m-20 -73.44 149.67 42.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 62' ' ' ASP . 19.1 tp -39.37 -43.14 1.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.89 -55.85 25.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 90.3 m -52.32 -52.08 55.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 110.407 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 44.7 mt -49.19 -53.06 23.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.451 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -63.88 -31.52 72.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.445 ' O ' ' N ' ' A' ' 71' ' ' GLU . 62.4 t90 -65.92 -60.84 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.516 ' CD1' ' CD2' ' A' ' 61' ' ' TYR . 40.1 mt -41.43 -52.95 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 109.312 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.03 -40.73 90.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 68' ' ' TRP . 0.2 OUTLIER -70.34 -10.77 59.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.336 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -142.6 42.67 1.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 11.9 pttp -82.27 -38.37 24.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.0 -29.39 43.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.96 -26.9 52.08 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.472 1.108 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.477 ' CD1' HG21 ' A' ' 69' ' ' ILE . 69.9 mt -72.59 123.1 26.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.757 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.0 m -140.46 141.06 35.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.967 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.571 ' CD2' HG13 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -97.14 112.72 24.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.955 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.423 ' N ' HD12 ' A' ' 79' ' ' ILE . 5.5 mm -85.1 91.21 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.508 HD11 ' CG2' ' A' ' 44' ' ' VAL . 0.7 OUTLIER -68.88 134.07 30.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -119.46 -47.73 2.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.7 ptt180 -163.82 156.15 15.1 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.295 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -178.32 4.09 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.502 1.791 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.473 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 47.6 m-85 -96.64 152.23 18.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -106.45 129.46 54.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 137.48 155.11 6.81 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -179.08 4.64 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.442 1.759 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -110.11 169.2 8.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 110.278 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.1 m -161.59 172.79 15.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.011 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 71.91 -63.38 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 93' ' ' GLY . 0.4 OUTLIER 63.68 81.54 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.262 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 65.1 -75.43 0.08 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.449 1.093 . . . . 0.0 110.988 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 91' ' ' LEU . . . 158.06 101.61 0.18 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.9 m -87.1 158.18 19.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 0.766 . . . . 0.0 110.02 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 174.5 99.03 0.12 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.565 1.166 . . . . 0.0 110.981 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 97.03 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.505 1.792 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 47.2 t -156.86 92.88 1.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.971 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.1 m -167.37 157.5 10.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.98 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.515 1.134 . . . . 0.0 111.027 -179.966 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.4 p -42.72 154.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 0.79 . . . . 0.0 110.014 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.7 p 178.62 -58.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 110.024 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.64 133.58 47.35 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.57 173.13 10.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 0.763 . . . . 0.0 110.019 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.3 m -103.39 127.77 50.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.042 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.83 -146.19 5.56 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.47 ' CD2' ' HG3' ' A' ' 67' ' ' LYS . 0.6 OUTLIER -62.45 -58.54 7.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 0.747 . . . . 0.0 109.271 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.1 mtm180 -40.25 -50.08 2.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.253 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 13' ' ' GLU . 5.7 mmtm -65.17 -52.37 55.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -42.93 -44.69 4.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.158 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.68 -42.83 97.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.474 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 1.7 mm-40 -68.07 -38.45 82.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.261 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' A' ' 14' ' ' ASP . 45.5 t0 -58.96 -32.9 70.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.422 ' O ' ' C ' ' A' ' 16' ' ' PHE . 58.8 t80 -74.81 -66.32 0.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.436 ' CD1' ' HE1' ' A' ' 55' ' ' PHE . 7.6 m-85 -36.35 -38.54 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 75.2 m -63.29 -61.18 2.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 108.325 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.49 -38.46 9.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.963 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 31.2 m -57.68 -65.95 0.55 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 108.31 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.595 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 2.7 t80 -49.5 -36.96 24.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.41 -36.14 63.1 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.527 1.142 . . . . 0.0 110.956 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -73.14 -26.42 61.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.86 -46.07 13.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.581 HD12 ' CD2' ' A' ' 20' ' ' TYR . 4.6 mt -57.79 -27.7 63.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.73 29.17 10.18 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.517 1.136 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.7 t -105.83 170.35 7.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 110.4 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 43.9 m -110.74 13.9 22.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.141 . . . . 0.0 110.411 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.2 m -124.88 -176.74 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 72.6 mtp -94.37 134.01 37.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.945 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.509 HG12 ' CD2' ' A' ' 20' ' ' TYR . 24.7 t -113.49 133.65 22.13 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 99.69 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.518 1.799 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.445 ' O ' ' CD1' ' A' ' 34' ' ' TYR . 46.0 t -46.83 117.21 4.37 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.595 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.4 Cg_endo -74.99 84.2 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.464 1.77 . . . . 0.0 110.963 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.445 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 93.4 m-85 -61.25 -64.58 0.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -38.22 -39.03 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.447 ' HB3' ' CD2' ' A' ' 84' ' ' PHE . 18.5 mttm -67.66 -69.27 0.33 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 73.8 mtp -49.86 -46.19 51.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 16.3 mt -53.89 -45.05 70.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -68.5 -53.04 25.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 110.244 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -134.66 121.12 20.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -92.3 19.68 6.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.5 m -93.75 24.37 4.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 110.01 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -117.67 -52.31 2.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.568 HG12 ' CD2' ' A' ' 78' ' ' PHE . 5.2 t -135.7 153.18 32.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.417 HG12 ' N ' ' A' ' 46' ' ' VAL . 53.1 t -120.28 142.0 38.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.419 HG11 ' CD1' ' A' ' 49' ' ' LEU . 71.8 t -101.82 137.7 28.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -144.13 129.02 18.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 110.346 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.16 32.15 3.58 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.419 ' CD1' HG11 ' A' ' 46' ' ' VAL . 6.8 mt -103.0 165.03 14.36 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.509 0.77 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.467 ' HG2' ' CG1' ' A' ' 53' ' ' VAL . 18.4 Cg_endo -74.99 170.01 21.37 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.504 1.792 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -66.6 137.7 56.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 110.261 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.417 ' C ' HG23 ' A' ' 53' ' ' VAL . . . 50.82 46.08 48.85 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.467 ' CG1' ' HG2' ' A' ' 50' ' ' PRO . 77.9 t -140.23 129.09 26.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 0.0 109.282 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -98.03 171.7 8.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.649 ' CD2' ' O ' ' A' ' 55' ' ' PHE . 28.9 t80 -84.22 12.32 6.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 111.049 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -47.62 163.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 110.306 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.455 ' ND1' ' OE1' ' A' ' 59' ' ' GLU . 1.7 t-80 -41.06 143.49 0.74 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.617 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.602 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -75.0 -28.63 9.01 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.48 1.779 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.455 ' OE1' ' ND1' ' A' ' 57' ' ' HIS . 9.9 pt-20 -49.91 -21.33 1.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 61' ' ' TYR . 54.0 m-80 -88.65 -48.26 7.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.602 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.9 m-30 -37.38 144.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.408 ' C ' ' N ' ' A' ' 64' ' ' ALA . 1.5 m-20 -77.84 148.05 34.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.8 tp -40.14 -32.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.408 ' N ' ' C ' ' A' ' 62' ' ' ASP . . . -70.6 -59.98 2.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 76.6 m -49.89 -49.66 48.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.384 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 47.1 mt -49.12 -53.46 20.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.47 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -66.71 -28.49 68.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.352 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 66.9 t90 -67.24 -60.27 2.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 108.051 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.46 ' CD1' ' CE2' ' A' ' 61' ' ' TYR . 58.5 mt -44.31 -50.53 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.0 mt -60.74 -43.73 97.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -18.57 65.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -137.51 46.86 2.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.237 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 76' ' ' ILE . 1.0 OUTLIER -80.4 -43.27 21.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.91 -22.55 2.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.8 -26.89 36.44 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.443 ' N ' ' O ' ' A' ' 73' ' ' LYS . 40.5 mt -72.28 124.32 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 109.255 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.0 m -142.31 137.2 30.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.965 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.568 ' CD2' HG12 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -93.83 102.88 15.01 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.415 ' N ' HD12 ' A' ' 79' ' ' ILE . 5.1 mm -81.48 89.65 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.547 HD12 ' CG2' ' A' ' 44' ' ' VAL . 1.2 mm -61.75 155.45 4.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -138.71 -47.64 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.83 156.83 19.94 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 110.274 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 175.63 10.99 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.455 1.766 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.447 ' CD2' ' HB3' ' A' ' 36' ' ' LYS . 26.4 m-85 -94.5 17.89 12.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.3 mt 69.5 103.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 121.0 155.92 9.67 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.5 1.125 . . . . 0.0 110.96 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 167.48 26.95 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.518 1.799 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -134.85 135.83 41.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 110.288 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.7 p 176.35 101.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.946 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -140.55 122.87 15.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.337 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.0 tt -111.51 145.62 38.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -134.69 -173.48 13.13 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.477 1.11 . . . . 0.0 111.017 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 116.8 103.52 2.31 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 11.5 t -172.08 77.56 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 0.77 . . . . 0.0 110.009 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -118.71 109.52 1.76 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.515 1.134 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -176.18 2.74 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.507 1.793 . . . . 0.0 111.024 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 20.4 p -166.25 157.63 13.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.021 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.87 152.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.993 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.0 p -88.67 97.59 11.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 0.757 . . . . 0.0 110.008 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m 45.43 94.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.013 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.77 90.96 0.15 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.32 105.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 0.0 110.015 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.51 148.75 23.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.989 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.05 -156.52 27.86 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 9' ' ' ARG . 0.5 OUTLIER -94.37 -66.64 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 8' ' ' LEU . 9.7 ttp180 -38.21 -54.06 1.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.338 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -59.97 -47.08 87.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -48.18 -44.46 32.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 78.6 t -63.93 -38.5 82.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.473 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 1.8 mt-10 -70.79 -39.76 72.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -67.02 -19.99 65.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 33.1 t80 -85.34 -64.39 1.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 111.023 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.442 ' CD1' ' HE1' ' A' ' 55' ' ' PHE . 4.4 m-85 -37.23 -34.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 75.2 m -66.69 -66.28 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.416 1.072 . . . . 0.0 108.266 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -38.49 -32.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 111.039 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.9 m -67.55 -67.86 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 108.255 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.581 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 4.9 t80 -45.72 -33.46 3.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.53 -36.19 49.75 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -71.27 -25.03 62.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.7 -44.92 12.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.557 HD12 ' CD2' ' A' ' 20' ' ' TYR . 6.3 mt -57.94 -29.17 64.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.1 28.22 10.14 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.514 1.133 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.7 t -105.76 168.79 8.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 0.744 . . . . 0.0 110.371 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 36.0 p -110.06 16.83 21.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 110.413 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 15.6 m -128.2 -173.02 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 71.5 mtp -97.91 133.12 42.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 111.039 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.48 HG13 ' CE2' ' A' ' 20' ' ' TYR . 43.9 t -111.64 135.08 21.12 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.91 99.97 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.471 1.774 . . . . 0.0 110.984 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.433 ' O ' ' CD1' ' A' ' 34' ' ' TYR . 55.9 t -46.43 115.35 3.09 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.581 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -74.98 82.26 2.04 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.481 1.78 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.433 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 95.7 m-85 -58.12 -66.67 0.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 34' ' ' TYR . 2.6 tp10 -36.58 -41.45 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.354 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.462 ' HB3' ' CD2' ' A' ' 84' ' ' PHE . 59.1 mttt -66.85 -68.82 0.35 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.467 ' HE3' ' CE2' ' A' ' 78' ' ' PHE . 77.9 mtp -47.6 -44.24 26.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 111.05 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.0 mt -59.5 -44.39 93.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.331 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -53.2 35.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -132.57 124.29 28.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -95.34 19.26 11.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -96.58 27.82 3.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -119.62 -57.97 1.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.349 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.571 HG11 ' CD2' ' A' ' 78' ' ' PHE . 10.5 t -133.31 151.48 33.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.0 t -118.94 150.44 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 76.2 t -109.45 137.19 42.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.332 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -144.33 126.72 15.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.3 30.0 3.27 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.526 1.141 . . . . 0.0 110.971 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.417 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 8.3 mt -100.8 165.02 15.03 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.767 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.417 ' HD2' ' HB3' ' A' ' 49' ' ' LEU . 18.5 Cg_endo -74.97 161.9 38.08 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.5 1.79 . . . . 0.0 111.046 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -63.08 131.64 49.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.333 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 62.3 47.51 89.14 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.442 1.088 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 97.8 t -146.4 141.28 21.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 0.773 . . . . 0.0 109.255 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.404 ' O ' ' OH ' ' A' ' 61' ' ' TYR . . . -109.7 175.21 5.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.648 ' CD2' ' O ' ' A' ' 55' ' ' PHE . 39.8 t80 -86.31 15.33 5.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -50.3 164.22 0.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.467 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.6 t-80 -43.61 145.59 1.11 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.548 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.6 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.1 Cg_endo -75.02 -32.17 5.58 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.442 1.759 . . . . 0.0 110.956 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.59 -23.68 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 110.253 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 61' ' ' TYR . 47.6 m-80 -86.39 -49.39 7.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.651 ' CD2' ' CD1' ' A' ' 69' ' ' ILE . 20.2 m-30 -37.59 135.78 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.433 ' C ' ' N ' ' A' ' 64' ' ' ALA . 0.7 OUTLIER -70.24 146.46 50.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 62' ' ' ASP . 15.9 tp -39.49 -30.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 62' ' ' ASP . . . -72.59 -57.0 4.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 52.7 m -52.14 -48.3 64.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.115 . . . . 0.0 110.419 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 43.6 mt -50.14 -54.38 21.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -30.42 71.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.251 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 58.7 t90 -66.26 -57.28 7.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 107.994 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.651 ' CD1' ' CD2' ' A' ' 61' ' ' TYR . 80.4 mt -46.26 -52.04 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 70.9 mt -59.39 -42.51 91.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.9 -17.88 65.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -138.41 47.85 1.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 1.4 ptmm? -83.16 -44.15 15.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.17 -26.43 4.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.55 -29.54 43.55 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.429 ' N ' ' O ' ' A' ' 73' ' ' LYS . 66.4 mt -72.19 117.46 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.434 0.726 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.7 m -133.51 142.45 48.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.995 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.571 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -97.73 110.02 22.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 110.962 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.423 ' N ' HD12 ' A' ' 79' ' ' ILE . 5.3 mm -83.92 89.47 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -67.53 147.87 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -134.64 -51.61 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.9 ptt180 -156.73 156.03 29.34 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 176.07 10.41 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.518 1.799 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.462 ' CD2' ' HB3' ' A' ' 36' ' ' LYS . 23.3 m-85 -92.17 18.73 7.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 62.26 75.07 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -176.43 169.29 41.77 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 174.15 13.28 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.509 1.794 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.63 93.89 4.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.32 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.83 115.03 8.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.03 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -101.03 106.74 18.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.293 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.9 tp -93.72 103.26 15.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -102.56 79.91 0.35 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.485 1.115 . . . . 0.0 110.991 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -95.07 -174.35 37.68 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 60.5 m -148.11 157.02 43.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 109.981 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -134.82 151.93 20.56 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.46 1.1 . . . . 0.0 110.935 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 170.47 20.33 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.49 1.784 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.9 p -124.66 142.62 51.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.012 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.06 165.52 13.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 179.989 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.6 m -62.97 -59.18 5.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 109.956 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 t -177.19 83.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.982 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.57 89.88 0.1 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.47 1.107 . . . . 0.0 111.012 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.07 123.85 7.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 0.765 . . . . 0.0 109.996 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.5 m -116.44 109.12 16.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 110.006 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.52 -159.18 7.93 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.423 HD23 ' CD1' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -83.77 -63.29 1.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 0.753 . . . . 0.0 109.332 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.47 ' CD ' ' HA ' ' A' ' 59' ' ' GLU . 5.1 ttp180 -39.96 -32.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 110.306 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 13' ' ' GLU . 0.5 OUTLIER -83.39 -50.58 8.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -43.87 -51.42 7.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 57.2 t -52.42 -38.3 25.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.473 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 2.8 mt-10 -73.54 -37.17 65.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.4 -16.74 64.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.525 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 45.2 t80 -89.74 -64.47 1.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.431 ' CD1' ' HE1' ' A' ' 55' ' ' PHE . 6.2 m-85 -37.89 -42.52 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.138 . . . . 0.0 110.994 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 83.4 m -60.47 -58.53 8.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 108.275 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -47.47 -35.81 9.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 13.5 m -65.13 -62.92 1.26 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 108.304 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.587 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 5.0 t80 -49.15 -41.15 35.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.59 -41.06 94.25 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.476 1.11 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -67.1 -27.6 67.48 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.517 0.775 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.63 -44.75 15.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.568 HD11 ' CD2' ' A' ' 20' ' ' TYR . 5.8 mt -58.26 -27.31 63.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.65 23.08 19.52 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.115 . . . . 0.0 110.969 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.9 t -102.17 153.04 20.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 0.753 . . . . 0.0 110.429 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 74.7 m -93.96 23.76 4.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 110.392 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.5 m -139.23 -179.45 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 76.7 mtp -91.67 137.05 32.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.478 HG12 ' CE2' ' A' ' 20' ' ' TYR . 59.8 t -115.27 139.01 23.95 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 104.66 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.471 1.774 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -50.98 116.31 7.08 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.587 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -74.99 78.51 2.87 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.532 1.806 . . . . 0.0 110.993 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.478 ' O ' ' C ' ' A' ' 35' ' ' GLU . 91.9 m-85 -55.13 -70.07 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' A' ' 34' ' ' TYR . 0.7 OUTLIER -32.69 -46.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.257 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 39' ' ' ARG . 30.7 mttt -62.95 -67.73 0.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 87.9 mtp -46.59 -35.97 6.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.8 mt -70.64 -33.72 71.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -74.92 -48.32 25.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -143.49 117.92 9.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -88.98 19.47 4.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.16 27.11 2.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.038 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -121.09 -59.82 1.69 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.574 HG13 ' CD2' ' A' ' 78' ' ' PHE . 4.7 t -126.53 151.2 32.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.348 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 64.0 t -121.35 141.72 40.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.44 HG12 ' CD1' ' A' ' 49' ' ' LEU . 74.3 t -100.64 138.85 23.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -146.07 127.17 14.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.3 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.26 32.04 3.11 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.132 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.44 ' CD1' HG12 ' A' ' 46' ' ' VAL . 8.7 mt -102.78 165.13 14.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.477 0.751 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.445 ' HG2' ' CG1' ' A' ' 53' ' ' VAL . 18.4 Cg_endo -75.02 168.59 24.49 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.499 1.789 . . . . 0.0 110.972 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.19 142.54 58.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.414 ' C ' HG23 ' A' ' 53' ' ' VAL . . . 45.52 46.23 12.17 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.445 ' CG1' ' HG2' ' A' ' 50' ' ' PRO . 71.2 t -137.93 134.18 45.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.758 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.404 ' O ' ' OH ' ' A' ' 61' ' ' TYR . . . -103.76 172.88 6.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.649 ' CD2' ' O ' ' A' ' 55' ' ' PHE . 32.6 t80 -86.02 13.97 6.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 57' ' ' HIS . 13.3 pt20 -48.18 159.8 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.462 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.6 t-80 -39.45 145.44 0.42 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.602 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.609 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.1 Cg_endo -75.04 -31.07 6.46 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.497 1.788 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.47 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 1.4 pp20? -47.83 -23.04 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 110.291 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 61' ' ' TYR . 46.6 m-80 -86.34 -50.0 7.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.609 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.7 m-30 -37.16 143.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 63' ' ' LEU . 0.6 OUTLIER -78.17 150.51 33.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 62' ' ' ASP . 3.7 tp -39.99 -38.63 0.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.433 1.083 . . . . 0.0 109.268 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.35 -54.51 19.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 88.3 m -54.53 -49.15 70.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 110.428 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 46.6 mt -51.3 -52.75 42.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.96 -28.8 68.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.271 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 55.2 t90 -66.07 -58.01 6.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 108.029 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.587 ' CD1' ' CD2' ' A' ' 61' ' ' TYR . 72.8 mt -46.73 -51.07 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.423 ' CD1' HD23 ' A' ' 8' ' ' LEU . 89.3 mt -59.07 -43.73 91.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.81 -18.05 65.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -135.19 45.18 2.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.525 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 1.5 ptmm? -83.32 -41.22 18.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.24 -26.2 6.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.318 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -83.36 -27.66 39.02 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.462 1.101 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 66.2 mt -72.27 123.33 26.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.4 m -141.1 139.05 33.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.976 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.574 ' CD2' HG13 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -95.4 104.85 16.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.972 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.427 ' N ' HD12 ' A' ' 79' ' ' ILE . 4.1 mm -80.38 92.19 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.495 HD11 ' CG2' ' A' ' 44' ' ' VAL . 0.4 OUTLIER -69.14 151.43 10.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -137.69 -47.38 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -159.52 156.91 26.09 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 176.34 10.05 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.53 1.805 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.407 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 10.0 m-85 -92.73 16.41 12.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.1 mp 66.8 97.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 149.04 165.18 12.07 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.519 1.137 . . . . 0.0 110.964 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 179.24 6.28 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.493 1.786 . . . . 0.0 110.96 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -133.92 113.72 12.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.326 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.89 160.16 8.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.993 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -162.64 117.12 1.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.267 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.5 tp -127.07 130.34 49.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -136.92 93.92 0.22 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.556 1.16 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -122.56 150.13 16.92 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.0 151.44 0.25 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 0.778 . . . . 0.0 110.016 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -137.34 155.51 22.96 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.453 1.095 . . . . 0.0 110.984 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -175.9 2.61 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.518 1.799 . . . . 0.0 111.002 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.48 -56.33 3.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.021 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.24 153.17 0.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.0 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.974 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.91 141.94 25.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 0.738 . . . . 0.0 109.996 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.44 110.8 19.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.969 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.17 -149.33 7.18 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.551 1.157 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.8 p -138.81 82.13 1.88 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 0.735 . . . . 0.0 110.05 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.87 84.95 7.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 109.996 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.47 -69.8 0.17 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.477 1.111 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.445 ' CD2' ' HG3' ' A' ' 67' ' ' LYS . 0.4 OUTLIER -63.69 -66.59 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 0.0 109.311 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.409 ' HD2' ' CB ' ' A' ' 59' ' ' GLU . 8.9 ttp180 -38.08 -52.1 1.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.294 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 39.0 mmtt -57.61 -53.36 59.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -45.68 -44.54 13.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 91.4 t -61.72 -43.21 96.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.072 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.474 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 1.7 mt-10 -67.06 -43.04 83.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -58.82 -34.59 71.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 73' ' ' LYS . 69.1 t80 -71.04 -64.69 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 15' ' ' TYR . 6.2 m-85 -36.02 -37.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 79.4 m -64.49 -63.28 1.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 108.309 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -41.42 -38.17 1.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.408 ' O ' ' N ' ' A' ' 22' ' ' LYS . 20.9 m -62.12 -69.16 0.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 108.278 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.587 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 5.0 t80 -41.71 -44.05 3.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.47 ' CA ' HG22 ' A' ' 30' ' ' VAL . . . -62.61 -40.14 98.77 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.436 1.085 . . . . 0.0 111.028 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 19' ' ' CYS . 9.1 mttt -68.38 -24.02 64.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 0.74 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.3 -48.69 10.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.574 HD12 ' CD2' ' A' ' 20' ' ' TYR . 2.3 mt -57.63 -30.6 65.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.61 -15.91 10.51 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.8 t -77.75 174.3 11.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 0.75 . . . . 0.0 110.38 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 88.7 m -121.64 2.72 10.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.401 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 35.1 m -91.45 -169.73 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.6 mtm -100.9 109.1 21.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 110.98 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.474 HG11 ' CD1' ' A' ' 24' ' ' LEU . 10.7 t -91.65 135.72 27.4 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 32' ' ' VAL . 18.3 Cg_endo -74.97 91.2 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.533 1.807 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.492 ' O ' ' CD1' ' A' ' 34' ' ' TYR . 51.7 t -39.9 115.51 1.09 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.587 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -74.99 84.23 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.559 1.82 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.492 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 81.5 m-85 -60.51 -63.51 1.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.96 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -37.77 -39.07 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.334 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.561 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 14.8 mttm -69.6 -68.79 0.38 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.532 ' CE ' ' CZ ' ' A' ' 78' ' ' PHE . 70.1 mtp -48.81 -45.17 39.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.978 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 26.5 mt -56.92 -49.13 76.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -63.72 -51.74 63.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.334 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -135.9 124.33 23.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -94.3 17.71 12.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.262 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.15 28.57 2.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.01 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -121.77 -55.81 1.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.579 HG13 ' CD2' ' A' ' 78' ' ' PHE . 13.1 t -131.07 146.14 34.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.0 t -112.28 152.07 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 77.0 t -113.41 135.71 52.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -143.34 127.28 17.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 110.308 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.77 32.77 2.8 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 0.0 110.953 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.42 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 7.0 mt -103.76 165.28 13.76 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.528 0.781 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.457 ' HG2' ' CB ' ' A' ' 53' ' ' VAL . 18.2 Cg_endo -75.03 168.9 23.8 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.501 1.79 . . . . 0.0 110.935 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -66.27 136.99 56.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 110.296 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.431 ' C ' HG21 ' A' ' 53' ' ' VAL . . . 52.23 45.69 57.54 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.126 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.457 ' CB ' ' HG2' ' A' ' 50' ' ' PRO . 70.3 t -140.75 130.8 27.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.555 0.797 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -98.39 173.75 6.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.648 ' CD2' ' O ' ' A' ' 55' ' ' PHE . 29.3 t80 -85.46 13.85 6.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -47.04 167.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.4 ' ND1' ' HD2' ' A' ' 58' ' ' PRO . 1.7 t-80 -47.27 143.0 5.36 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.613 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.584 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -75.02 -26.37 10.95 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.409 ' CB ' ' HD2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -52.81 -19.43 2.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 0.0 110.31 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 61' ' ' TYR . 17.0 m-80 -91.87 -47.89 7.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.584 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 17.9 m-30 -35.85 143.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 63' ' ' LEU . 1.2 m-20 -78.29 151.5 32.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.373 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 62' ' ' ASP . 11.3 tp -39.61 -46.12 1.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 68' ' ' TRP . . . -60.02 -57.06 14.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 87.2 m -50.96 -53.06 36.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.365 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 46.0 mt -48.07 -52.51 19.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.268 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.445 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -68.17 -28.71 67.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.443 ' N ' ' O ' ' A' ' 64' ' ' ALA . 56.4 t90 -65.55 -57.89 7.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 108.052 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.576 ' CD1' ' CE2' ' A' ' 61' ' ' TYR . 50.9 mt -47.26 -47.14 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 84.3 mt -64.16 -40.47 96.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.59 -13.93 62.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -141.03 43.74 1.8 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.572 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . 12.8 pttp -80.91 -42.14 21.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.6 -23.5 2.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -86.39 -25.44 36.32 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.458 ' N ' ' O ' ' A' ' 73' ' ' LYS . 39.7 mt -71.99 121.69 22.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 0.774 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.9 m -141.53 136.73 31.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.988 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.579 ' CD2' HG13 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -91.8 106.03 18.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 111.01 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.415 HD11 ' N ' ' A' ' 79' ' ' ILE . 5.7 mm -84.01 95.56 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.524 HD12 ' CG2' ' A' ' 44' ' ' VAL . 1.6 mm -69.61 154.97 7.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -137.28 -48.0 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.98 156.65 15.24 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 177.11 9.04 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.502 1.79 . . . . 0.0 110.978 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.561 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 52.1 m-85 -93.56 163.22 13.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 111.007 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.6 mp -95.84 123.19 39.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 166.65 160.9 14.56 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.528 1.142 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 175.74 10.81 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.504 1.791 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -132.47 169.57 16.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.7 106.38 0.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.015 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -121.98 89.75 3.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 110.289 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.26 139.05 53.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 174.46 175.34 41.94 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 110.51 159.6 16.96 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.46 134.62 1.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 109.972 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -113.29 96.85 0.83 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.115 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -177.77 3.7 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.509 1.794 . . . . 0.0 111.039 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.5 p -166.65 159.36 14.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.945 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 35.3 t -165.38 -59.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.983 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.457 1.098 . . . . 0.0 110.97 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 m -161.27 127.77 3.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.756 . . . . 0.0 109.989 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 m -52.27 149.29 5.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.983 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.15 113.67 1.29 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.88 154.65 36.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 0.767 . . . . 0.0 110.034 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.14 140.43 6.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.043 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.04 -177.86 33.71 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 9' ' ' ARG . 0.5 OUTLIER -65.08 -67.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 0.772 . . . . 0.0 109.314 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 8' ' ' LEU . 2.3 ttm180 -38.57 -40.72 0.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 13' ' ' GLU . 24.6 tptt -75.25 -49.17 20.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.098 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -42.59 -52.89 4.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.49 ' CG1' ' CE2' ' A' ' 16' ' ' PHE . 47.9 t -53.43 -41.27 44.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.469 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 2.6 mt-10 -69.58 -36.73 76.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -66.83 -23.02 65.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 42.5 t80 -84.65 -63.78 1.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.49 ' CE2' ' CG1' ' A' ' 12' ' ' VAL . 5.9 m-85 -36.19 -38.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.977 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 71.7 m -60.26 -64.51 0.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 108.286 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -41.84 -37.68 1.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.3 m -62.94 -63.59 1.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 108.284 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.576 ' CD2' HD13 ' A' ' 24' ' ' LEU . 4.9 t80 -47.59 -32.84 5.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.83 -37.68 50.67 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.558 1.161 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -67.99 -23.72 65.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 0.735 . . . . 0.0 109.266 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.472 ' HB3' ' CG1' ' A' ' 80' ' ' ILE . . . -88.15 -45.38 10.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.576 HD13 ' CD2' ' A' ' 20' ' ' TYR . 6.0 mt -57.58 -25.21 59.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.09 28.06 19.08 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.446 1.091 . . . . 0.0 110.958 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.9 t -104.83 172.83 6.58 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.51 0.771 . . . . 0.0 110.385 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.2 m -113.84 19.18 16.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.385 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 18.5 m -132.17 -175.98 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.247 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 79.2 mtp -95.65 130.25 42.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 110.979 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.514 HG11 ' CE2' ' A' ' 20' ' ' TYR . 52.7 t -111.02 134.45 21.01 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 18.2 Cg_endo -74.99 107.88 2.59 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.546 1.814 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.541 ' O ' ' CD1' ' A' ' 34' ' ' TYR . 48.4 t -50.79 114.67 4.93 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.57 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -75.02 77.93 3.02 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.774 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.541 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 92.8 m-85 -56.81 -61.97 2.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 34' ' ' TYR . 1.8 tp10 -37.54 -34.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -77.98 -69.13 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.597 1.185 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 14.1 mmm -47.47 -48.65 26.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 110.962 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.9 mt -49.66 -37.05 26.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.0 mtt180 -76.59 -49.37 16.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -137.3 117.76 13.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.578 1.174 . . . . 0.0 109.253 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -88.92 20.27 3.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.59 25.77 3.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.138 . . . . 0.0 109.959 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -113.76 -57.63 2.26 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.579 HG13 ' CD2' ' A' ' 78' ' ' PHE . 14.1 t -129.43 149.54 33.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.3 t -112.14 147.31 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.47 HG11 ' CD1' ' A' ' 49' ' ' LEU . 76.8 t -108.93 135.52 47.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.256 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -144.12 128.06 17.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.72 30.83 3.61 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.127 . . . . 0.0 111.008 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.47 ' CD1' HG11 ' A' ' 46' ' ' VAL . 8.5 mt -101.29 164.93 15.04 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.474 0.75 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.41 ' HD2' ' HB3' ' A' ' 49' ' ' LEU . 18.4 Cg_endo -74.95 157.79 42.77 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.458 1.768 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -58.1 131.54 50.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.272 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 59.37 50.23 70.0 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.534 1.146 . . . . 0.0 111.033 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 92.4 t -147.76 127.61 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.444 0.732 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.408 ' O ' ' OH ' ' A' ' 61' ' ' TYR . . . -95.52 175.25 6.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.65 ' CD2' ' O ' ' A' ' 55' ' ' PHE . 31.1 t80 -87.9 14.61 8.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 111.049 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -48.17 161.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.283 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.413 ' ND1' ' HD2' ' A' ' 58' ' ' PRO . 1.7 t-80 -40.63 143.25 0.7 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.624 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.607 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -74.97 -27.57 9.96 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.496 1.787 . . . . 0.0 110.96 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -20.37 2.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.259 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 61' ' ' TYR . 48.8 m-80 -89.24 -48.72 7.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.607 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.8 m-30 -36.89 144.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.949 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 63' ' ' LEU . 6.6 m-20 -78.86 151.82 31.61 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.433 1.083 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 62' ' ' ASP . 3.7 tp -39.74 -41.31 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.097 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.2 -62.06 1.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.36 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 83.6 m -46.61 -50.01 18.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 110.375 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 46.1 mt -51.03 -57.26 9.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.405 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -62.94 -29.8 71.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.16 . . . . 0.0 109.269 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.414 ' O ' ' N ' ' A' ' 71' ' ' GLU . 64.6 t90 -66.28 -59.81 3.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 108.005 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.49 ' CD1' ' CE2' ' A' ' 61' ' ' TYR . 42.1 mt -41.62 -54.57 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 42.5 mt -59.0 -41.53 87.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 68' ' ' TRP . 0.1 OUTLIER -69.62 -11.35 60.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 110.261 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -143.84 46.32 1.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 9.7 pttp -86.4 -40.38 15.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.47 -27.65 4.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -83.93 -26.62 40.66 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.503 1.127 . . . . 0.0 110.962 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.476 ' CD1' HG23 ' A' ' 69' ' ' ILE . 57.9 mt -72.37 124.47 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 0.779 . . . . 0.0 109.308 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.7 m -140.5 138.27 34.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.959 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.579 ' CD2' HG13 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -94.4 102.44 14.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.435 HD13 ' N ' ' A' ' 79' ' ' ILE . 5.9 mm -80.27 87.69 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.472 ' CG1' ' HB3' ' A' ' 23' ' ' ALA . 0.3 OUTLIER -60.95 129.89 24.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.272 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -111.25 -43.22 3.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.233 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.76 156.41 5.01 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -174.93 2.12 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.469 1.773 . . . . 0.0 110.984 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.5 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 18.8 m-85 -102.22 165.63 11.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 16.4 mt -50.17 151.37 2.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -46.77 157.25 0.53 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 143.56 29.36 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.511 1.795 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -178.98 97.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.69 168.06 0.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.038 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -175.89 139.37 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.0 tp -139.59 162.76 34.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -166.34 87.61 0.1 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.485 1.116 . . . . 0.0 111.049 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 151.84 115.77 0.67 Allowed Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.22 161.82 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 0.741 . . . . 0.0 109.978 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 133.0 95.84 0.59 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.526 1.141 . . . . 0.0 110.958 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -178.68 4.34 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.433 1.754 . . . . 0.0 111.017 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 59.9 p -166.69 122.67 1.19 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 56.66 166.35 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.0 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.554 1.159 . . . . 0.0 110.987 179.996 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.79 144.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 0.75 . . . . 0.0 109.963 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.92 -58.74 0.35 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 110.001 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.16 143.44 6.0 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.507 1.129 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.04 145.08 2.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 110.046 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.8 p -149.07 126.42 11.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.006 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.46 155.19 26.45 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.438 ' CD2' ' HG3' ' A' ' 67' ' ' LYS . 0.6 OUTLIER -68.03 -65.49 0.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 0.733 . . . . 0.0 109.333 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 8' ' ' LEU . 5.1 mtm180 -38.67 -43.78 0.93 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -72.84 -52.46 14.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -43.33 -48.6 6.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 63.7 t -58.28 -40.85 79.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.475 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 2.6 mt-10 -69.17 -40.76 77.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.327 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -61.92 -29.96 70.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.517 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 44.2 t80 -75.39 -66.04 0.82 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.44 ' CD1' ' HE1' ' A' ' 55' ' ' PHE . 6.1 m-85 -36.03 -39.73 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 98.5 m -61.45 -57.95 10.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 108.315 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.437 ' N ' ' O ' ' A' ' 15' ' ' TYR . 1.9 t80 -47.76 -36.06 10.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 0.0 111.064 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.5 m -64.81 -64.57 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 108.263 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.58 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 4.9 t80 -46.99 -40.96 15.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.967 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.48 -40.42 94.33 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 110.989 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.8 mtpt -66.44 -25.08 66.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 0.776 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.58 -43.29 13.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.578 1.174 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.569 HD13 ' CD2' ' A' ' 20' ' ' TYR . 4.5 mt -62.27 -27.51 69.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.43 34.75 6.51 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.4 t -112.35 158.86 19.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 0.762 . . . . 0.0 110.397 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 28.8 p -100.53 17.53 21.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.372 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.5 m -128.57 -173.48 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 6.1 mtm -99.12 130.93 45.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.472 HG11 ' CD1' ' A' ' 24' ' ' LEU . 25.9 t -109.42 133.11 20.93 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 18.4 Cg_endo -75.02 100.0 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.499 1.789 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.501 ' O ' ' CD1' ' A' ' 34' ' ' TYR . 55.7 t -44.41 116.0 2.45 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.58 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -74.93 80.94 2.3 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.511 1.795 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.501 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 96.8 m-85 -59.51 -62.37 1.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 34' ' ' TYR . 4.6 tt0 -37.32 -35.38 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.0 mttm -76.24 -69.43 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 18.9 mmm -47.05 -45.22 21.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.0 mt -53.65 -40.0 65.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -73.71 -51.68 15.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -131.69 118.38 19.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -92.38 17.89 9.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.7 m -95.41 26.91 3.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.011 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -113.54 -63.7 1.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.575 HG11 ' CD2' ' A' ' 78' ' ' PHE . 7.2 t -123.73 143.46 36.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.8 t -106.66 145.89 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.466 HG11 ' CD1' ' A' ' 49' ' ' LEU . 70.9 t -107.85 135.18 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -143.18 127.55 17.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 110.337 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.4 27.97 4.24 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.11 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.466 ' CD1' HG11 ' A' ' 46' ' ' VAL . 8.4 mt -99.62 165.3 14.95 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.421 ' HG2' ' CG1' ' A' ' 53' ' ' VAL . 18.3 Cg_endo -75.02 175.09 11.7 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.519 1.8 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.487 ' O ' ' CG2' ' A' ' 53' ' ' VAL . 7.4 tt0 -66.51 146.06 54.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 110.31 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 40.28 45.98 3.34 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.462 1.101 . . . . 0.0 111.02 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.487 ' CG2' ' O ' ' A' ' 51' ' ' GLU . 88.2 t -136.47 132.55 48.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.765 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.415 ' O ' ' OH ' ' A' ' 61' ' ' TYR . . . -102.33 177.68 4.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.646 ' CD2' ' O ' ' A' ' 55' ' ' PHE . 37.7 t80 -89.58 14.46 11.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -48.7 162.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.447 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.7 t-80 -42.44 145.02 0.87 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.584 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.611 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -75.05 -29.12 8.49 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.482 1.78 . . . . 0.0 110.99 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.93 -20.92 1.49 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -88.6 -49.32 6.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.611 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.6 m-30 -37.66 140.77 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.422 ' C ' ' N ' ' A' ' 64' ' ' ALA . 2.1 m-20 -73.47 146.36 45.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.1 tp -39.91 -31.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.422 ' N ' ' C ' ' A' ' 62' ' ' ASP . . . -71.18 -56.57 5.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 51.6 m -52.88 -50.6 63.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.405 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 40.7 mt -47.46 -51.27 20.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.438 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -66.18 -34.12 77.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 57.5 t90 -62.58 -57.3 11.58 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.52 ' CD1' ' CE2' ' A' ' 61' ' ' TYR . 44.1 mt -44.61 -53.84 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 52.9 mt -59.66 -40.57 88.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.36 -12.25 61.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.339 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -142.68 45.39 1.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.517 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 11.5 pttp -84.18 -42.94 15.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.98 -25.34 4.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.02 -26.85 39.41 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.468 ' CD1' HG21 ' A' ' 69' ' ' ILE . 71.2 mt -72.89 124.33 29.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.5 p -138.56 139.52 38.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.002 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.575 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -95.36 102.42 14.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 111.007 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.433 HD13 ' N ' ' A' ' 79' ' ' ILE . 6.0 mm -80.94 88.87 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -60.35 137.45 22.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -121.04 -49.67 2.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.17 155.81 15.98 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 178.61 7.03 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.494 1.786 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.472 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 53.5 m-85 -93.16 164.01 13.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.6 mt -99.94 121.18 40.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 126.13 163.32 11.51 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 168.19 25.38 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.542 1.812 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -116.79 91.33 3.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.338 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.18 -62.7 0.46 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.119 . . . . 0.0 110.021 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 50.4 80.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 64.09 171.81 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -116.05 -89.39 1.53 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.449 1.093 . . . . 0.0 111.027 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -171.13 158.85 30.53 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 79.0 p -116.7 163.94 15.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 0.768 . . . . 0.0 109.978 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 173.71 111.83 0.27 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.551 1.157 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -51.86 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.49 1.784 . . . . 0.0 110.967 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.9 121.85 8.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.977 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.7 m -67.54 133.96 50.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.001 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.483 1.114 . . . . 0.0 110.986 -180.0 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m 72.0 -59.66 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.754 . . . . 0.0 110.027 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.4 p 59.43 114.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.017 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.95 -133.81 3.82 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.46 1.1 . . . . 0.0 110.976 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.57 98.17 0.79 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 0.78 . . . . 0.0 109.984 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -175.28 109.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.034 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.61 164.31 11.38 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.492 1.12 . . . . 0.0 111.039 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.455 ' CD2' ' HG3' ' A' ' 67' ' ' LYS . 0.4 OUTLIER -95.36 -70.32 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.747 . . . . 0.0 109.266 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.473 ' CD ' ' HA ' ' A' ' 59' ' ' GLU . 9.5 ttm180 -38.6 -43.59 0.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.293 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 11' ' ' ALA . 0.5 OUTLIER -69.53 -55.1 11.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 10' ' ' LYS . . . -39.76 -49.27 2.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 15' ' ' TYR . 21.2 t -49.57 -56.61 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.247 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.467 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 3.3 mt-10 -53.39 -34.16 56.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.237 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.09 -16.32 61.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.599 ' CG ' ' N ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -91.44 -54.46 3.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.118 . . . . 0.0 111.015 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.599 ' N ' ' CG ' ' A' ' 15' ' ' TYR . 3.6 m-85 -45.85 -24.68 0.42 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 95.0 m -74.5 -57.64 3.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 108.304 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -40.11 -36.83 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.75 -67.0 0.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 108.322 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.59 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 3.1 t80 -47.31 -36.32 9.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.88 -37.76 60.7 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -71.83 -26.19 62.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 0.752 . . . . 0.0 109.256 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.6 -46.77 12.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.498 HD12 ' CG ' ' A' ' 20' ' ' TYR . 4.1 mt -57.65 -20.12 31.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.71 29.05 40.39 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.443 1.089 . . . . 0.0 110.969 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 27' ' ' THR . 2.4 t -100.12 177.78 4.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.777 . . . . 0.0 110.449 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.45 ' N ' ' OG1' ' A' ' 26' ' ' THR . 24.5 p -116.79 21.64 13.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.404 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 12.3 m -137.88 -173.43 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.351 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 5.6 mtm -100.43 130.86 46.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 111.012 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.542 HG11 ' CD2' ' A' ' 20' ' ' TYR . 96.2 t -109.67 137.47 20.39 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 104.6 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.415 ' O ' ' CD1' ' A' ' 34' ' ' TYR . 55.1 t -48.03 118.14 6.14 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.59 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -74.99 84.51 1.65 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.45 1.763 . . . . 0.0 111.035 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.415 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 96.2 m-85 -61.19 -62.8 1.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 111.001 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.54 -35.28 0.18 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.563 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 14.4 mttt -75.18 -67.68 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 92.6 mtp -48.31 -36.13 13.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.929 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.8 mt -70.53 -39.34 74.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -72.77 -51.64 18.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 110.305 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.68 113.88 17.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.355 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -90.1 17.29 7.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 110.269 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.6 m -104.88 23.81 12.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -109.02 -67.41 0.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.572 HG11 ' CD2' ' A' ' 78' ' ' PHE . 4.6 t -119.08 144.27 27.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.2 t -111.49 143.16 21.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.473 HG13 ' CD1' ' A' ' 49' ' ' LEU . 72.5 t -104.16 137.3 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -143.6 125.56 15.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.11 31.87 2.75 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.455 1.097 . . . . 0.0 111.024 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.473 ' CD1' HG13 ' A' ' 46' ' ' VAL . 9.6 mt -102.34 165.27 14.12 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 109.286 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.46 ' HG2' ' CG1' ' A' ' 53' ' ' VAL . 18.3 Cg_endo -75.05 170.05 21.26 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.539 1.81 . . . . 0.0 110.992 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.421 ' O ' ' CG2' ' A' ' 53' ' ' VAL . 2.8 tt0 -63.08 143.36 57.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.337 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 43.8 44.81 7.17 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.46 ' CG1' ' HG2' ' A' ' 50' ' ' PRO . 80.0 t -136.71 133.51 48.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 0.755 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.417 ' O ' ' OH ' ' A' ' 61' ' ' TYR . . . -103.42 -179.85 4.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.65 ' CD2' ' O ' ' A' ' 55' ' ' PHE . 41.9 t80 -92.09 14.9 14.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.427 ' HG3' ' CE1' ' A' ' 61' ' ' TYR . 8.8 pt20 -48.52 174.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.456 ' ND1' ' OE1' ' A' ' 59' ' ' GLU . 1.7 t-80 -52.51 144.73 22.91 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.593 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.618 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -75.05 -26.86 10.44 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.523 1.801 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.473 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 9.0 pt-20 -53.28 -18.91 2.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.268 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -90.55 -50.33 6.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.107 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.618 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 21.7 m-30 -38.42 145.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 63' ' ' LEU . 3.2 m-20 -78.75 146.53 33.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 62' ' ' ASP . 10.3 tp -39.56 -34.24 0.22 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.24 -57.81 5.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 48.3 m -51.29 -51.53 53.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.395 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 33.8 mt -46.72 -51.68 15.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.455 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -65.96 -33.39 75.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.419 ' O ' ' N ' ' A' ' 72' ' ' ASN . 60.9 t90 -63.36 -59.52 4.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 107.976 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.476 ' O ' ' N ' ' A' ' 73' ' ' LYS . 37.1 mt -45.88 -51.11 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 86.5 mt -59.18 -42.01 89.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.34 -13.89 61.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.297 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 68' ' ' TRP . 5.2 m-80 -134.76 41.07 2.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 69' ' ' ILE . 8.1 pttp -86.23 -29.67 22.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.98 -30.94 70.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -83.33 -21.7 58.1 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.485 ' CG2' ' OH ' ' A' ' 15' ' ' TYR . 65.3 mt -72.91 128.38 35.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.4 p -143.49 140.97 30.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.043 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.572 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -95.74 102.13 13.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.424 ' N ' HD12 ' A' ' 79' ' ' ILE . 5.8 mm -81.55 93.36 2.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.474 HD12 ' CG2' ' A' ' 44' ' ' VAL . 1.0 OUTLIER -66.52 147.17 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -127.57 -50.61 1.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.1 156.08 25.54 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.272 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 175.55 11.1 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.494 1.786 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.563 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 82.3 m-85 -93.32 170.61 9.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.4 pp -136.4 107.07 6.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.342 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -179.71 158.56 22.39 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 179.85 5.69 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.457 1.767 . . . . 0.0 111.018 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -145.94 116.08 7.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.09 . . . . 0.0 110.324 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.09 157.96 2.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -161.93 134.13 5.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.339 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 28.8 tp -151.01 127.94 11.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -100.19 147.31 18.06 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.543 1.152 . . . . 0.0 111.029 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -171.83 156.05 25.04 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.1 m -179.42 167.86 1.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 0.795 . . . . 0.0 110.035 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -160.37 148.73 17.39 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 132.07 15.01 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.45 1.763 . . . . 0.0 110.984 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.9 m -109.25 163.88 12.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.016 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.81 164.44 12.03 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.535 1.147 . . . . 0.0 109.996 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 O-C-N 124.482 1.114 . . . . 0.0 110.982 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.4 p -102.83 -58.8 1.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 110.003 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.0 t -53.63 130.05 34.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.995 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.23 149.0 5.1 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.547 1.154 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.0 p -176.03 149.32 0.89 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 0.773 . . . . 0.0 109.954 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.1 p -150.83 -67.36 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.979 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.76 -157.34 27.33 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.534 1.146 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.455 HD23 ' CD1' ' A' ' 70' ' ' LEU . 0.4 OUTLIER -92.1 -66.1 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 0.745 . . . . 0.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 8' ' ' LEU . 3.3 mtm180 -37.45 -50.72 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -65.46 -52.01 56.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -40.18 -48.05 2.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.419 ' CG1' ' CE2' ' A' ' 16' ' ' PHE . 74.4 t -60.69 -48.45 88.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.47 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 10.0 mm-40 -61.65 -26.07 67.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.68 -26.38 50.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.517 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 22.8 t80 -81.79 -60.51 2.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.448 ' CD1' ' HE1' ' A' ' 55' ' ' PHE . 4.7 m-85 -37.62 -36.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 111.019 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 99.6 m -66.83 -66.09 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 108.263 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -39.14 -35.35 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.2 m -67.16 -60.45 2.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 108.314 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.572 ' CD2' HD12 ' A' ' 24' ' ' LEU . 3.8 t80 -49.49 -37.46 26.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 111.028 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.06 -39.16 84.47 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.89 -23.0 65.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 0.803 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.99 -49.87 7.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.572 HD12 ' CD2' ' A' ' 20' ' ' TYR . 2.3 mt -57.66 -31.38 66.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.08 -6.95 43.63 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.466 HG23 ' CG2' ' A' ' 30' ' ' VAL . 1.3 t -66.0 159.93 24.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 110.4 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.7 m -103.06 10.67 37.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.383 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.5 m -126.83 178.83 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 37.7 mtp -82.2 140.02 33.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 111.043 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.515 HG13 ' CD2' ' A' ' 20' ' ' TYR . 20.6 t -118.16 130.93 24.43 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 101.17 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.489 1.784 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.504 ' O ' ' CD1' ' A' ' 34' ' ' TYR . 52.7 t -44.77 118.51 3.48 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.57 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -75.0 71.57 4.95 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.499 1.789 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.504 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 96.6 m-85 -48.9 -64.62 0.75 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 34' ' ' TYR . 2.7 tt0 -38.05 -37.81 0.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.561 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 45.0 mttt -72.95 -69.29 0.42 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.569 ' HE2' ' CE2' ' A' ' 78' ' ' PHE . 83.2 mtp -45.64 -37.74 5.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 22.6 mt -65.47 -50.65 64.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.7 mtt-85 -60.87 -51.05 70.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -129.29 126.01 38.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -101.01 18.59 19.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.432 ' O ' ' NH1' ' A' ' 82' ' ' ARG . 62.9 m -101.25 17.97 21.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.029 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -103.89 -60.7 1.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.564 HG12 ' CD2' ' A' ' 78' ' ' PHE . 12.7 t -130.82 147.96 33.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.404 HG11 ' N ' ' A' ' 46' ' ' VAL . 2.9 t -112.41 151.45 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.259 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.404 ' N ' HG11 ' A' ' 45' ' ' VAL . 78.2 t -110.18 135.67 48.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -141.95 128.29 19.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.289 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.04 30.28 3.48 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.546 1.154 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.415 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 7.7 mt -101.64 164.9 14.99 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.503 0.767 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.415 ' HD2' ' HB3' ' A' ' 49' ' ' LEU . 18.4 Cg_endo -74.99 160.45 40.17 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.537 1.809 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -60.68 131.43 50.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 60.67 50.28 69.28 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 88.3 t -148.43 136.4 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.474 0.749 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -104.98 174.53 5.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.642 ' CD2' ' O ' ' A' ' 55' ' ' PHE . 43.4 t80 -85.92 15.38 4.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -51.86 163.86 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.447 ' ND1' ' OE2' ' A' ' 59' ' ' GLU . 1.7 t-80 -42.08 143.55 1.0 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.636 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.602 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.1 Cg_endo -75.04 -28.33 9.19 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.532 1.806 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.447 ' OE2' ' ND1' ' A' ' 57' ' ' HIS . 10.9 pt-20 -51.1 -20.39 1.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 61' ' ' TYR . 55.4 m-80 -89.91 -47.59 7.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.602 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.1 m-30 -37.33 146.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.432 ' C ' ' N ' ' A' ' 64' ' ' ALA . 1.5 m-20 -78.79 148.63 32.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -40.64 -29.52 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.432 ' N ' ' C ' ' A' ' 62' ' ' ASP . . . -73.89 -62.35 1.53 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 53.0 m -46.8 -46.69 20.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.386 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 42.3 mt -51.25 -58.86 5.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -61.77 -32.93 73.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.423 ' O ' ' N ' ' A' ' 72' ' ' ASN . 62.0 t90 -63.19 -59.19 5.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 107.982 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.564 ' CD1' ' CE2' ' A' ' 61' ' ' TYR . 39.7 mt -43.26 -53.44 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.455 ' CD1' HD23 ' A' ' 8' ' ' LEU . 55.1 mt -59.87 -40.43 88.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.67 -12.49 61.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.331 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 68' ' ' TRP . 5.3 m-80 -140.88 44.91 1.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.517 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 11.0 pttp -83.99 -42.49 16.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.347 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.44 -25.67 6.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.18 -25.57 43.74 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.126 . . . . 0.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.476 ' CD1' HG22 ' A' ' 69' ' ' ILE . 66.4 mt -72.94 124.82 30.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 0.782 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.1 m -140.66 142.48 34.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.018 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.569 ' CE2' ' HE2' ' A' ' 37' ' ' MET . 0.2 OUTLIER -98.3 110.69 23.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 111.043 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.42 HD13 ' N ' ' A' ' 79' ' ' ILE . 5.6 mm -85.06 92.15 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.495 HD13 ' CG2' ' A' ' 44' ' ' VAL . 1.0 OUTLIER -65.9 140.3 19.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -124.8 -50.79 1.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.432 ' NH1' ' O ' ' A' ' 42' ' ' SER . 0.0 OUTLIER -163.49 156.36 15.92 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.264 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 174.7 12.33 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.444 1.76 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.561 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 53.7 m-85 -92.25 172.52 8.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.977 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.7 pp -107.43 122.41 46.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.249 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 160.1 160.36 10.5 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.524 1.14 . . . . 0.0 110.953 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -47.76 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.488 1.783 . . . . 0.0 110.979 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 51.74 82.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.98 133.51 4.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.006 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.1 102.73 2.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.311 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -175.3 150.2 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 127.05 144.99 6.13 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.531 1.145 . . . . 0.0 111.031 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -142.77 -117.68 1.28 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.4 m -111.35 146.97 36.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 0.768 . . . . 0.0 109.988 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -109.82 99.68 1.24 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.124 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 176.57 9.73 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.491 1.785 . . . . 0.0 111.035 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.5 m -168.01 -55.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.979 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.26 -58.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.01 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 O-C-N 124.525 1.141 . . . . 0.0 110.951 179.932 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.1 p -116.28 147.8 41.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 0.764 . . . . 0.0 110.004 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.3 p -128.82 -60.0 1.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.955 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.48 -126.03 1.35 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.461 1.1 . . . . 0.0 111.008 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.8 p -112.47 142.85 44.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 0.737 . . . . 0.0 109.981 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.1 t -48.38 115.19 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.005 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.91 -169.6 32.5 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.473 ' CD2' ' HG3' ' A' ' 67' ' ' LYS . 0.6 OUTLIER -42.27 -57.31 2.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 109.306 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -38.4 -49.77 1.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 110.275 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 13' ' ' GLU . 40.6 tptt -69.6 -48.61 59.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -43.82 -46.06 7.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 51.3 t -63.13 -40.31 88.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.471 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 2.3 mt-10 -69.79 -31.76 69.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 10' ' ' LYS . 12.3 t0 -69.16 -23.84 63.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 44.0 t80 -83.26 -64.85 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.436 ' CD1' ' HE1' ' A' ' 55' ' ' PHE . 6.9 m-85 -36.46 -45.21 0.48 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 75.7 m -56.28 -62.35 1.77 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.096 . . . . 0.0 108.258 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -39.77 -48.23 2.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 22' ' ' LYS . 6.9 m -53.91 -69.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 108.267 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.592 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 5.0 t80 -40.41 -37.64 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.978 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.72 -43.07 60.65 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -66.03 -27.19 67.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 0.767 . . . . 0.0 109.267 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.36 -46.08 14.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.551 HD13 ' CD2' ' A' ' 20' ' ' TYR . 6.0 mt -57.81 -27.73 63.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.95 29.74 8.88 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.437 1.085 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.8 t -107.44 172.49 6.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 0.796 . . . . 0.0 110.402 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 38.2 p -112.78 18.15 18.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 110.422 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.4 m -129.93 -175.34 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 80.2 mtp -96.64 130.49 43.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.549 HG12 ' CE2' ' A' ' 20' ' ' TYR . 23.9 t -110.16 131.31 22.07 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 105.94 2.18 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.516 1.798 . . . . 0.0 110.988 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.531 ' O ' ' CD1' ' A' ' 34' ' ' TYR . 66.8 t -47.83 118.19 5.97 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 109.318 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.592 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -75.01 74.62 3.95 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.58 1.831 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.531 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 97.6 m-85 -53.97 -63.07 1.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -37.67 -31.58 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 110.308 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 34' ' ' TYR . 15.4 mttt -80.67 -68.87 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 15.9 mmm -48.66 -44.76 37.92 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 0.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.1 mt -54.15 -36.7 63.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.4 mtt85 -77.15 -46.9 21.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.272 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -140.27 118.08 11.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -89.84 17.52 6.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 m -91.91 31.1 1.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 110.028 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -120.19 -62.49 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.576 HG13 ' CD2' ' A' ' 78' ' ' PHE . 12.9 t -124.72 143.36 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.422 HG23 ' ND2' ' A' ' 81' ' ' ASN . 2.6 t -106.62 151.18 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.461 HG13 ' CD1' ' A' ' 49' ' ' LEU . 72.7 t -112.36 137.21 46.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.258 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -145.51 127.24 15.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.128 . . . . 0.0 110.291 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.78 30.73 3.38 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.562 1.164 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.461 ' CD1' HG13 ' A' ' 46' ' ' VAL . 9.2 mt -101.82 165.09 14.59 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.469 0.747 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.418 ' HD2' ' HB3' ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.03 154.09 42.1 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.561 1.821 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.73 132.14 45.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 59.31 50.25 69.79 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.464 1.103 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 94.4 t -148.37 127.34 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 0.786 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -95.13 176.25 6.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.254 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.647 ' CD2' ' O ' ' A' ' 55' ' ' PHE . 35.0 t80 -88.86 14.52 10.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 111.036 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -49.25 161.82 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.426 ' ND1' ' HD2' ' A' ' 58' ' ' PRO . 1.7 t-80 -40.71 144.05 0.64 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 109.585 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.609 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -75.05 -28.34 9.17 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.532 1.806 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.83 -21.09 1.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 -88.32 -47.61 8.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.609 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.7 m-30 -39.31 141.68 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.446 ' C ' ' N ' ' A' ' 64' ' ' ALA . 4.3 m-20 -74.05 145.69 44.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.8 tp -39.41 -30.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.446 ' N ' ' C ' ' A' ' 62' ' ' ASP . . . -71.09 -60.06 2.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 60.1 m -49.47 -51.03 38.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.399 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 39.4 mt -46.42 -52.71 12.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.282 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.473 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -66.56 -31.88 72.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 58.0 t90 -63.91 -58.58 6.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 108.005 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 73' ' ' LYS . 30.5 mt -44.12 -52.91 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 31.4 mt -60.46 -38.28 83.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.94 -10.01 59.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -147.27 46.33 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 11.1 pttp -84.56 -40.52 17.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.02 -27.7 5.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -82.87 -25.75 48.24 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.458 ' N ' ' O ' ' A' ' 73' ' ' LYS . 67.3 mt -72.86 123.69 28.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.773 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.9 p -138.03 142.3 40.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.968 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.576 ' CD2' HG13 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -98.55 104.18 16.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.165 . . . . 0.0 110.998 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.424 HD11 ' N ' ' A' ' 79' ' ' ILE . 5.2 mm -80.66 88.34 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.35 122.93 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.422 ' ND2' HG23 ' A' ' 45' ' ' VAL . 22.3 m-20 -105.44 -42.62 5.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.29 156.19 4.44 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -179.75 5.29 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.479 1.778 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.56 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 57.1 m-85 -94.95 -176.57 3.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 110.958 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -133.16 137.66 46.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 148.48 166.16 12.66 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.526 1.141 . . . . 0.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 165.86 30.45 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.525 1.803 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -155.26 148.03 24.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.302 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.58 159.92 31.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.958 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -178.86 111.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.335 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -141.85 164.56 29.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 145.86 139.32 3.35 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.457 1.098 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 162.84 156.72 8.67 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.77 -172.6 2.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 0.732 . . . . 0.0 109.997 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -141.37 103.06 0.32 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.469 1.106 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 80.79 2.37 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.498 1.788 . . . . 0.0 110.974 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.8 OUTLIER -170.7 104.46 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.987 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 97' ' ' SER . 1.4 t -39.13 99.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.975 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 97' ' ' SER . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.438 1.086 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.461 ' CD2' ' HG3' ' A' ' 67' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 8' ' ' LEU . 12.2 ttp180 -37.87 -54.24 1.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -58.58 -51.42 69.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.355 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -44.9 -49.58 10.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.512 HG12 ' CE2' ' A' ' 16' ' ' PHE . 63.0 t -56.69 -40.74 71.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 0.0 109.256 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.478 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 3.3 mt-10 -70.17 -50.31 41.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -54.24 -28.34 40.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 24.7 t80 -78.42 -63.64 1.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.512 ' CE2' HG12 ' A' ' 12' ' ' VAL . 4.0 m-85 -36.26 -38.33 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 70.8 m -64.69 -61.93 1.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 108.312 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -40.26 -33.51 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.979 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.8 m -67.42 -63.35 1.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 108.324 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.586 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 4.7 t80 -48.37 -40.71 26.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.529 ' O ' HG22 ' A' ' 26' ' ' THR . . . -67.51 -33.84 82.63 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.485 1.115 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -75.86 -26.41 57.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.781 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.81 -44.14 17.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.781 HD13 HG21 ' A' ' 30' ' ' VAL . 4.0 mt -57.86 -33.58 68.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.26 21.42 10.81 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.529 HG22 ' O ' ' A' ' 21' ' ' GLY . 10.0 t -98.83 176.4 5.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 0.0 110.375 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 m -116.16 19.91 14.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.395 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.0 m -132.42 -172.52 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 67.9 mtp -100.6 135.72 41.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.781 HG21 HD13 ' A' ' 24' ' ' LEU . 87.1 t -113.55 141.03 25.26 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.593 ' HD2' HG13 ' A' ' 30' ' ' VAL . 18.1 Cg_endo -75.02 95.31 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.505 1.792 . . . . 0.0 110.982 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.653 HG11 ' HZ ' ' A' ' 55' ' ' PHE . 44.1 t -40.46 114.27 1.05 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.586 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -75.03 80.65 2.39 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.458 1.768 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.496 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 94.6 m-85 -57.94 -64.51 0.88 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.148 . . . . 0.0 110.994 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -38.22 -38.33 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 110.332 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.559 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 61.4 mttt -69.02 -67.11 0.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.577 ' CE ' ' CZ ' ' A' ' 78' ' ' PHE . 81.0 mtp -50.91 -47.09 60.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 26.4 mt -55.36 -53.13 60.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -57.64 -53.55 56.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.277 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -134.88 127.28 30.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -95.15 17.84 13.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.22 32.27 1.76 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.961 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -129.48 -53.99 1.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.804 HG11 ' CD2' ' A' ' 78' ' ' PHE . 6.4 t -132.72 140.54 47.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.2 t -110.0 150.92 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.25 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.518 HG21 ' CB ' ' A' ' 55' ' ' PHE . 78.5 t -112.68 135.39 52.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -144.29 126.58 15.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.19 33.97 2.24 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.553 1.158 . . . . 0.0 111.022 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.415 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 8.4 mt -105.34 164.22 15.52 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.469 0.747 . . . . 0.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.548 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.2 Cg_endo -75.02 154.55 42.46 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.498 1.788 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -54.08 131.89 41.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 58.53 50.46 66.74 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.449 1.093 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.548 HG11 ' HG2' ' A' ' 50' ' ' PRO . 89.7 t -148.64 125.33 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 0.777 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -93.43 175.04 6.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.26 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.653 ' HZ ' HG11 ' A' ' 32' ' ' VAL . 37.7 t80 -86.01 14.1 6.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -47.68 162.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.27 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.434 ' CE1' ' OE2' ' A' ' 13' ' ' GLU . 1.7 t-80 -42.0 144.15 0.9 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.61 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.699 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -75.04 -31.14 6.39 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.522 1.801 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.7 -23.93 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.345 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -85.15 -48.7 8.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.699 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.3 m-30 -39.19 135.2 1.01 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.434 ' C ' ' N ' ' A' ' 64' ' ' ALA . 1.6 m-20 -70.0 146.89 50.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.6 tp -39.97 -30.36 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.261 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.434 ' N ' ' C ' ' A' ' 62' ' ' ASP . . . -72.52 -57.0 4.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 78.1 m -53.13 -50.61 64.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 110.381 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 46.8 mt -47.26 -49.16 24.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.461 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -68.47 -30.9 69.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 51.9 t90 -64.43 -56.38 14.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 107.974 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.733 HG23 ' CD1' ' A' ' 76' ' ' ILE . 43.0 mt -48.77 -45.74 15.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.447 ' CD1' HD23 ' A' ' 8' ' ' LEU . 61.5 mt -66.14 -39.42 89.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.88 -10.62 60.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 110.271 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -141.89 40.4 1.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 11.0 pttp -81.04 -35.27 32.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.581 1.175 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.75 -19.1 9.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -92.84 -24.21 23.6 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.538 1.149 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.733 ' CD1' HG23 ' A' ' 69' ' ' ILE . 41.9 mt -72.3 121.5 22.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 m -141.32 135.3 30.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 110.04 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.804 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -90.05 105.05 17.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.451 ' N ' HD13 ' A' ' 79' ' ' ILE . 5.1 mm -82.57 92.97 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.721 ' CD1' HG22 ' A' ' 44' ' ' VAL . 1.0 OUTLIER -69.82 142.78 15.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -123.99 -44.0 2.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.61 157.24 10.81 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 110.266 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 177.98 7.87 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.499 1.789 . . . . 0.0 110.95 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 44.9 m-85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.8 mtm180 -41.92 -47.96 4.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.283 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -56.4 -51.77 67.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -47.69 -44.39 27.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.535 HG12 ' CE2' ' A' ' 16' ' ' PHE . 53.8 t -66.39 -41.63 89.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.463 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 3.9 mm-40 -65.95 -36.2 82.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.92 -24.34 66.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.559 ' CE2' ' HB2' ' A' ' 73' ' ' LYS . 70.8 t80 -84.26 -63.85 1.27 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.535 ' CE2' HG12 ' A' ' 12' ' ' VAL . 3.9 m-85 -36.01 -33.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.962 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 15' ' ' TYR . 76.4 m -69.64 -59.41 2.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 108.317 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.431 ' N ' ' O ' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -43.13 -35.19 1.26 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.949 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.5 m -64.63 -66.42 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 108.291 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.584 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 3.7 t80 -46.8 -35.33 6.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.37 -38.04 58.59 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.535 1.147 . . . . 0.0 111.047 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.4 mttt -70.28 -24.56 63.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.86 -45.24 12.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.639 HD13 HG21 ' A' ' 30' ' ' VAL . 4.9 mt -60.12 -26.4 66.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.565 1.166 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.21 32.35 8.95 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.547 1.154 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.54 ' OG1' HG22 ' A' ' 28' ' ' VAL . 15.1 t -110.12 153.51 24.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 110.369 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.6 m -94.82 23.23 5.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.413 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.54 HG22 ' OG1' ' A' ' 26' ' ' THR . 14.6 m -133.97 -173.79 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 76.3 mtp -99.94 131.75 45.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.975 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.639 HG21 HD13 ' A' ' 24' ' ' LEU . 53.4 t -109.48 136.05 20.27 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 18.3 Cg_endo -74.98 101.61 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.499 1.789 . . . . 0.0 110.994 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.843 HG11 ' HZ ' ' A' ' 55' ' ' PHE . 48.2 t -48.41 115.71 4.46 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.584 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.4 Cg_endo -74.96 83.09 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.504 1.792 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.421 ' O ' ' C ' ' A' ' 35' ' ' GLU . 76.9 m-85 -58.44 -66.58 0.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -36.99 -41.1 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 110.349 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.567 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 26.9 mttt -64.78 -68.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.44 ' HE3' ' HB ' ' A' ' 44' ' ' VAL . 66.2 mtp -50.16 -46.14 53.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.9 mt -55.03 -38.92 68.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.4 mtt-85 -75.05 -52.47 10.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.316 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -127.98 118.91 24.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -93.87 19.01 9.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.65 25.9 7.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.988 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -114.88 -67.18 1.01 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.869 HG11 ' CD2' ' A' ' 78' ' ' PHE . 10.8 t -121.21 144.11 31.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.7 t -108.94 151.98 11.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.537 HG21 ' CB ' ' A' ' 55' ' ' PHE . 73.5 t -111.94 137.03 46.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -144.11 128.45 17.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.74 30.8 3.37 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.471 1.107 . . . . 0.0 110.956 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 49' ' ' LEU . 7.6 mt -102.59 165.08 14.38 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 109.333 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.584 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.4 Cg_endo -75.03 176.66 9.63 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.528 1.804 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 1.021 ' O ' HG23 ' A' ' 53' ' ' VAL . 3.0 tt0 -67.34 145.63 54.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 40.24 47.74 3.57 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.547 1.154 . . . . 0.0 110.958 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 1.021 HG23 ' O ' ' A' ' 51' ' ' GLU . 85.8 t -136.73 139.72 44.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -106.85 -179.55 3.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.843 ' HZ ' HG11 ' A' ' 32' ' ' VAL . 37.3 t80 -92.59 16.17 12.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.958 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.489 ' HG3' ' CE1' ' A' ' 61' ' ' TYR . 16.4 pt20 -47.08 173.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.531 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.5 t-80 -55.12 147.4 35.07 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.578 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.707 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -75.01 -32.44 5.36 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.473 1.775 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.88 -22.32 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -87.6 -51.9 5.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.707 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 22.1 m-30 -37.52 140.73 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -77.2 153.79 33.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.1 tp -39.34 -50.96 2.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.35 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 68' ' ' TRP . . . -54.2 -59.96 3.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 66.3 m -50.48 -54.97 18.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.37 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.41 ' CD2' ' HB2' ' A' ' 61' ' ' TYR . 63.9 mt -49.43 -50.07 42.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -28.71 68.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.446 ' N ' ' O ' ' A' ' 64' ' ' ALA . 70.2 t90 -67.69 -61.19 2.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 108.024 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.755 HG23 ' CD1' ' A' ' 76' ' ' ILE . 61.8 mt -42.61 -49.0 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 87.5 mt -62.8 -42.45 99.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 68' ' ' TRP . 0.1 OUTLIER -67.17 -16.32 64.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 110.317 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -138.7 44.77 2.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.559 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . 1.8 ptmm? -79.75 -42.73 23.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.1 -23.81 3.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.303 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.5 -25.52 42.6 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.755 ' CD1' HG23 ' A' ' 69' ' ' ILE . 38.4 mt -72.48 125.02 30.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.2 p -143.09 140.57 30.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.984 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.869 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -97.18 110.19 22.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 110.989 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.443 ' N ' HD13 ' A' ' 79' ' ' ILE . 5.4 mm -85.33 91.03 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.54 ' CD1' HG22 ' A' ' 44' ' ' VAL . 0.4 OUTLIER -66.98 140.41 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -125.62 -47.03 1.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.241 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.9 ptt180 -166.4 156.18 10.56 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.326 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -177.33 3.39 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.517 1.798 . . . . 0.0 111.009 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.567 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 42.8 m-85 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.407 HD23 ' CD1' ' A' ' 70' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.483 ' CD ' ' HA ' ' A' ' 59' ' ' GLU . 2.4 mtm105 -44.99 -41.36 7.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 13' ' ' GLU . 4.0 mmmt -74.88 -51.64 13.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -40.37 -40.77 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.528 HG12 ' CE2' ' A' ' 16' ' ' PHE . 69.1 t -68.24 -50.03 61.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.237 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.467 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 1.8 mm-40 -61.19 -28.23 68.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 110.29 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -71.77 -30.13 65.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.52 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 60.2 t80 -79.22 -62.19 1.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.974 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.528 ' CE2' HG12 ' A' ' 12' ' ' VAL . 5.1 m-85 -36.14 -41.93 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.105 . . . . 0.0 110.982 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 75.8 m -61.47 -58.26 8.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 108.339 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.412 ' N ' ' O ' ' A' ' 15' ' ' TYR . 5.9 t80 -45.75 -41.39 10.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 13.2 m -59.2 -64.21 1.02 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 108.271 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.565 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 4.0 t80 -50.19 -40.72 47.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.53 ' O ' HG22 ' A' ' 26' ' ' THR . . . -67.63 -36.44 87.9 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.535 1.147 . . . . 0.0 110.955 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -72.89 -25.97 61.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 0.751 . . . . 0.0 109.268 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.59 -45.45 14.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.527 HD11 ' CD2' ' A' ' 20' ' ' TYR . 4.6 mt -58.7 -25.36 62.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.84 29.19 12.13 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.53 HG22 ' O ' ' A' ' 21' ' ' GLY . 14.8 t -105.87 152.93 22.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 0.779 . . . . 0.0 110.374 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.1 m -94.26 23.77 4.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 110.381 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.474 HG22 ' OG1' ' A' ' 26' ' ' THR . 18.5 m -138.74 -177.02 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 65.5 mtp -94.25 135.52 35.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.082 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.527 HG21 HD13 ' A' ' 24' ' ' LEU . 48.2 t -113.72 137.99 22.48 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.403 ' HD2' HG13 ' A' ' 30' ' ' VAL . 18.4 Cg_endo -74.97 105.7 2.13 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.496 1.788 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.777 HG11 ' HZ ' ' A' ' 55' ' ' PHE . 52.6 t -52.56 116.18 8.35 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.565 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -75.03 81.24 2.26 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.443 1.76 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 35' ' ' GLU . 73.6 m-85 -59.03 -64.57 0.89 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.15 . . . . 0.0 111.027 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 34' ' ' TYR . 3.6 tt0 -38.28 -37.32 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.568 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 10.3 mtpt -68.82 -69.17 0.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.449 ' CE ' ' CZ ' ' A' ' 78' ' ' PHE . 66.4 mtp -49.95 -37.64 32.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.1 mt -63.66 -49.02 74.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.0 mtt180 -64.33 -49.81 70.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.357 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -132.43 122.7 25.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -95.4 19.52 10.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.357 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.4 32.4 3.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 110.027 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -120.9 -57.54 1.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.728 HG22 HD13 ' A' ' 80' ' ' ILE . 14.2 t -132.93 149.17 31.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.251 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.4 t -113.0 147.23 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.561 HG21 ' CB ' ' A' ' 55' ' ' PHE . 61.6 t -106.54 137.12 38.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.35 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -143.63 129.05 18.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.28 30.9 3.7 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.507 1.129 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.421 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 7.6 mt -103.24 165.26 13.9 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.772 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.683 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.4 Cg_endo -75.0 172.45 16.34 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.512 1.796 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 1.023 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -62.96 145.43 55.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 39.1 47.45 2.57 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 1.023 HG23 ' O ' ' A' ' 51' ' ' GLU . 95.5 t -136.78 129.22 44.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.548 0.793 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -98.38 176.96 5.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.777 ' HZ ' HG11 ' A' ' 32' ' ' VAL . 42.8 t80 -89.41 14.5 11.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.951 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' HIS . 14.6 pt20 -49.74 162.16 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 110.305 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 56' ' ' GLN . 1.7 t-80 -40.11 142.87 0.66 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.596 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.697 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -75.02 -29.05 8.59 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.501 1.79 . . . . 0.0 110.972 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.483 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -49.02 -22.19 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.332 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 61' ' ' TYR . 54.4 m-80 -86.99 -49.39 7.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.697 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.5 m-30 -37.33 148.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 63' ' ' LEU . 0.8 OUTLIER -83.69 149.36 26.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.833 HD12 ' HE2' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -39.95 -41.29 1.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.35 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.19 -53.19 53.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 62' ' ' ASP . 80.8 m -55.19 -50.35 69.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.418 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 57.7 mt -52.18 -50.93 60.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.833 ' HE2' HD12 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -64.26 -30.75 71.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.574 1.171 . . . . 0.0 109.311 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.448 ' O ' ' N ' ' A' ' 71' ' ' GLU . 73.7 t90 -66.35 -62.95 1.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 108.001 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.782 HG23 ' CD1' ' A' ' 76' ' ' ILE . 46.2 mt -41.57 -49.16 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.407 ' CD1' HD23 ' A' ' 8' ' ' LEU . 87.7 mt -62.51 -42.57 99.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 68' ' ' TRP . 0.7 OUTLIER -68.69 -15.94 63.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 68' ' ' TRP . 9.3 m120 -138.0 46.67 2.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 0.8 OUTLIER -82.03 -42.19 19.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.83 -23.84 3.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.82 -25.91 39.89 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.782 ' CD1' HG23 ' A' ' 69' ' ' ILE . 38.0 mt -72.19 125.16 30.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 0.751 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 m -143.6 137.02 28.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.971 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.59 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -92.73 106.55 18.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 111.013 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.408 ' N ' HD13 ' A' ' 79' ' ' ILE . 6.2 mm -85.05 88.93 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.728 HD13 HG22 ' A' ' 44' ' ' VAL . 2.9 mm -58.53 152.66 3.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -136.14 -47.31 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -166.48 155.96 10.3 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 174.55 12.6 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.485 1.781 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 59.2 m-85 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 110.978 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.462 HD23 HD12 ' A' ' 70' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.48 ' HB2' ' CZ ' ' A' ' 9' ' ' ARG . 1.2 ttm105 -40.81 -39.12 1.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -76.35 -51.43 11.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -42.84 -52.24 5.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.498 HG12 ' CE2' ' A' ' 16' ' ' PHE . 72.7 t -53.76 -40.42 43.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.46 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 1.8 mm-40 -71.78 -35.27 69.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.156 . . . . 0.0 110.337 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.33 -16.04 63.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 67.0 t80 -92.31 -63.91 1.18 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 111.043 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.498 ' CE2' HG12 ' A' ' 12' ' ' VAL . 5.6 m-85 -35.86 -34.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.433 ' N ' ' O ' ' A' ' 15' ' ' TYR . 83.3 m -67.29 -61.58 1.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 108.318 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -41.18 -39.51 1.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.8 m -59.54 -64.58 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 108.276 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.589 ' O ' HD12 ' A' ' 24' ' ' LEU . 4.8 t80 -47.89 -35.76 11.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 111.016 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.482 ' O ' HG22 ' A' ' 26' ' ' THR . . . -72.33 -33.66 61.42 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.2 mtpt -76.29 -26.04 55.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.759 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.425 ' HB1' ' HB ' ' A' ' 80' ' ' ILE . . . -82.65 -45.29 14.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.589 HD12 ' O ' ' A' ' 20' ' ' TYR . 5.3 mt -57.52 -28.7 63.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.92 -5.4 39.61 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.482 HG22 ' O ' ' A' ' 21' ' ' GLY . 9.5 t -74.7 178.8 5.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 0.79 . . . . 0.0 110.392 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 39.2 m -123.11 19.24 9.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.36 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.425 HG22 ' OG1' ' A' ' 26' ' ' THR . 30.1 m -125.7 -175.4 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 0.0 109.254 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 68.1 mtp -94.75 122.83 37.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.947 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.548 HG21 HD13 ' A' ' 24' ' ' LEU . 43.5 t -105.41 136.91 19.16 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 18.4 Cg_endo -74.96 103.02 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.483 1.781 . . . . 0.0 110.992 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.819 HG11 ' CZ ' ' A' ' 55' ' ' PHE . 44.8 t -49.05 118.08 7.16 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.582 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -75.01 78.51 2.88 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.495 1.787 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.471 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 97.4 m-85 -54.01 -64.52 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 111.051 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -37.92 -40.93 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.341 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.547 ' HB3' ' CD2' ' A' ' 84' ' ' PHE . 14.6 mttm -68.22 -69.12 0.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.52 ' CE ' ' CZ ' ' A' ' 78' ' ' PHE . 65.1 mtp -46.55 -44.54 18.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.1 mt -58.1 -49.25 77.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.265 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.1 mtt180 -64.37 -53.54 47.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -131.42 125.26 32.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -96.49 15.91 20.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 81.2 p -92.77 25.54 3.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.996 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -114.89 -60.02 1.94 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.857 HG11 ' CD2' ' A' ' 78' ' ' PHE . 12.0 t -133.02 149.11 31.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.2 t -113.79 153.63 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.519 HG21 ' CB ' ' A' ' 55' ' ' PHE . 78.3 t -113.03 136.19 50.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -144.38 124.59 13.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.263 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.69 30.47 2.59 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.123 . . . . 0.0 110.995 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 49' ' ' LEU . 7.6 mt -100.89 165.03 14.98 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.528 0.781 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.421 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.5 Cg_endo -74.96 156.34 43.14 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.521 1.8 . . . . 0.0 111.02 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.63 130.07 45.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.288 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 63.71 49.45 68.62 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.542 1.151 . . . . 0.0 110.971 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.421 HG11 ' HG2' ' A' ' 50' ' ' PRO . 95.0 t -149.8 137.37 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -104.41 176.69 5.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.819 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 32.4 t80 -88.38 13.81 10.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -48.28 173.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.253 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.445 ' ND1' ' OE2' ' A' ' 59' ' ' GLU . 1.7 t-80 -51.06 142.78 17.3 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.616 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.69 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.97 -29.54 8.17 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.526 1.803 . . . . 0.0 111.045 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.445 ' OE2' ' ND1' ' A' ' 57' ' ' HIS . 11.8 pt-20 -48.44 -22.64 0.75 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 61' ' ' TYR . 42.1 m-80 -87.97 -48.99 7.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.69 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.4 m-30 -36.81 141.8 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 111.027 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.58 149.43 36.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.611 HD12 ' NZ ' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -40.49 -40.34 1.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.2 -53.34 50.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 99.5 m -55.57 -51.28 67.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.429 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 45.6 mt -50.19 -49.96 50.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.081 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.611 ' NZ ' HD12 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -66.19 -35.7 81.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.279 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.454 ' O ' ' N ' ' A' ' 72' ' ' ASN . 63.0 t90 -62.3 -57.89 9.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 108.007 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.482 ' CD1' ' CD2' ' A' ' 61' ' ' TYR . 50.5 mt -43.28 -54.08 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.462 HD12 HD23 ' A' ' 8' ' ' LEU . 73.4 mt -60.33 -39.21 86.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.61 -10.68 59.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 68' ' ' TRP . 8.3 m120 -140.89 42.25 1.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 0.4 OUTLIER -83.29 -36.65 24.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.45 -28.45 30.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -83.44 -26.55 42.78 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.131 . . . . 0.0 110.952 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.472 ' CD1' HG23 ' A' ' 69' ' ' ILE . 66.6 mt -72.33 119.61 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 0.748 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 m -138.06 135.74 36.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.997 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.857 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -92.07 108.25 19.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.559 1.162 . . . . 0.0 111.04 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.516 ' N ' HD13 ' A' ' 79' ' ' ILE . 4.4 mm -81.83 90.46 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.449 HD13 HG22 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -68.06 139.98 19.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -126.21 -44.4 1.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.268 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -168.11 156.69 8.3 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.333 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -178.23 4.02 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.507 1.793 . . . . 0.0 111.028 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.547 ' CD2' ' HB3' ' A' ' 36' ' ' LYS . 47.3 m-85 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 9' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.473 ' HD2' ' CB ' ' A' ' 59' ' ' GLU . 18.4 ttp180 -38.44 -50.36 1.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 13' ' ' GLU . 2.7 tmtm? -58.02 -56.77 17.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -41.17 -50.81 3.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.495 HG12 ' CE2' ' A' ' 16' ' ' PHE . 75.4 t -56.89 -43.95 81.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.47 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 2.2 mt-10 -66.21 -35.9 81.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.459 ' O ' ' HE3' ' A' ' 29' ' ' MET . 9.0 t0 -71.66 -25.8 62.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 40.2 t80 -79.15 -64.23 1.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.495 ' CE2' HG12 ' A' ' 12' ' ' VAL . 4.7 m-85 -36.78 -34.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 99.8 m -65.31 -66.04 0.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 108.296 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -37.74 -38.28 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.3 m -61.26 -61.93 2.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 108.297 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.587 ' CD2' HD11 ' A' ' 24' ' ' LEU . 3.4 t80 -51.25 -43.95 61.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.98 -36.05 92.78 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.7 mttt -73.0 -25.78 61.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 0.765 . . . . 0.0 109.292 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.09 -40.49 15.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.811 HD13 HG21 ' A' ' 30' ' ' VAL . 11.6 mt -58.11 -33.77 69.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.27 21.29 10.92 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.447 1.092 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.424 ' OG1' HG22 ' A' ' 28' ' ' VAL . 8.7 t -103.1 -178.47 3.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.757 . . . . 0.0 110.438 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.2 p -120.66 19.47 11.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.425 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.424 HG22 ' OG1' ' A' ' 26' ' ' THR . 15.8 m -129.56 -175.36 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.459 ' HE3' ' O ' ' A' ' 14' ' ' ASP . 88.7 mtp -98.34 132.02 44.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.811 HG21 HD13 ' A' ' 24' ' ' LEU . 93.9 t -111.35 140.16 22.7 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.571 ' HD2' HG13 ' A' ' 30' ' ' VAL . 18.1 Cg_endo -75.01 96.39 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.516 1.798 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.77 HG11 ' HZ ' ' A' ' 55' ' ' PHE . 48.1 t -41.79 115.18 1.42 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.586 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -74.94 87.27 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.453 1.765 . . . . 0.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.437 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 96.0 m-85 -63.18 -66.91 0.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 111.043 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 34' ' ' TYR . 4.6 tt0 -35.35 -43.82 0.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.564 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 37.3 mttt -63.04 -69.44 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.433 ' HE3' ' CE2' ' A' ' 78' ' ' PHE . 78.5 mtp -48.65 -37.24 17.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.5 mt -64.9 -42.33 94.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.359 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -70.06 -50.15 43.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 110.33 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -135.16 118.7 16.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -91.51 18.08 7.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.95 24.69 5.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.997 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -114.41 -55.86 2.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.862 HG11 ' CD2' ' A' ' 78' ' ' PHE . 6.1 t -132.94 150.02 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.7 t -117.03 148.45 19.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.528 HG21 ' CB ' ' A' ' 55' ' ' PHE . 74.5 t -107.62 138.25 34.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -145.63 127.86 15.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.9 29.98 3.62 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.558 1.161 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.424 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 8.7 mt -101.4 165.29 14.36 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.752 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.627 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.3 Cg_endo -74.99 173.15 15.0 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 0.0 111.015 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 1.005 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -65.44 145.22 56.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.307 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 41.8 45.77 4.77 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.513 1.133 . . . . 0.0 110.931 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 1.005 HG23 ' O ' ' A' ' 51' ' ' GLU . 93.8 t -136.73 135.77 48.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 0.757 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -104.44 178.53 4.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.77 ' HZ ' HG11 ' A' ' 32' ' ' VAL . 38.6 t80 -90.23 15.26 10.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.497 ' HG3' ' CE1' ' A' ' 61' ' ' TYR . 11.5 pt20 -47.4 170.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.514 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.6 t-80 -50.93 146.85 9.69 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.641 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.692 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -75.01 -30.87 6.69 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.539 1.81 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.473 ' CB ' ' HD2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -50.14 -21.4 1.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -88.09 -51.19 5.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.255 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.692 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 22.0 m-30 -37.46 140.56 0.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.968 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 65' ' ' THR . 0.4 OUTLIER -74.14 146.97 43.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 62' ' ' ASP . 5.9 tp -39.63 -35.14 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.63 -53.49 22.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 62' ' ' ASP . 37.8 m -55.81 -50.49 70.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.422 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 40.8 mt -49.13 -49.65 41.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.48 -32.97 74.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.4 ' O ' ' N ' ' A' ' 72' ' ' ASN . 62.3 t90 -63.69 -58.56 6.51 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.762 HG23 ' CD1' ' A' ' 76' ' ' ILE . 76.4 mt -44.66 -51.77 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.314 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 77.6 mt -60.61 -42.55 97.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.85 -16.76 64.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 68' ' ' TRP . 8.6 m120 -137.91 46.28 2.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 1.0 OUTLIER -83.31 -42.51 17.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.59 -23.31 4.09 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.142 . . . . 0.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -85.03 -27.21 34.67 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.762 ' CD1' HG23 ' A' ' 69' ' ' ILE . 57.7 mt -72.48 123.34 26.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 0.755 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.9 p -140.6 139.69 34.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.01 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.862 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -96.08 109.04 21.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 111.042 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.506 ' N ' HD13 ' A' ' 79' ' ' ILE . 4.4 mm -83.56 89.9 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.24 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.527 HD13 HG22 ' A' ' 44' ' ' VAL . 0.5 OUTLIER -65.75 146.74 13.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.269 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -131.81 -48.41 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.238 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -163.6 157.41 16.56 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 110.315 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -177.63 3.61 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.532 1.806 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 23.2 m-85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.492 HD23 ' CD1' ' A' ' 70' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -41.85 -50.92 4.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.26 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 13' ' ' GLU . 0.7 OUTLIER -67.03 -49.3 65.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -45.58 -51.27 12.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.552 HG11 ' HB3' ' A' ' 58' ' ' PRO . 45.8 t -55.09 -35.11 33.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.449 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 2.4 mm-40 -76.34 -42.65 44.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 110.274 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.27 -15.83 28.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.525 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 76.6 t80 -90.45 -66.18 0.95 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.977 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' A' ' 15' ' ' TYR . 6.4 m-85 -35.91 -36.52 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 83.9 m -63.75 -61.67 2.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 108.307 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -43.92 -35.69 2.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 12.9 m -63.74 -61.38 2.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 108.257 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.599 ' O ' HD12 ' A' ' 24' ' ' LEU . 3.3 t80 -51.87 -37.05 50.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.467 ' O ' HG22 ' A' ' 26' ' ' THR . . . -71.38 -32.41 65.06 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.48 1.113 . . . . 0.0 111.007 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -77.43 -26.74 51.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 0.736 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.58 -44.77 15.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.65 HD13 HG21 ' A' ' 30' ' ' VAL . 4.9 mt -57.82 -33.19 68.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.42 24.61 10.03 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.524 1.14 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.467 HG22 ' O ' ' A' ' 21' ' ' GLY . 8.8 t -100.46 172.65 6.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 0.759 . . . . 0.0 110.406 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.55 HG22 ' O ' ' A' ' 27' ' ' THR . 39.3 m -111.93 19.66 17.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.429 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.443 HG22 ' OG1' ' A' ' 26' ' ' THR . 11.8 m -132.98 -173.86 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 78.0 mtp -98.64 133.05 43.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.65 HG21 HD13 ' A' ' 24' ' ' LEU . 65.3 t -114.59 136.74 22.45 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 18.3 Cg_endo -75.0 107.69 2.54 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.508 1.794 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.829 HG11 ' HZ ' ' A' ' 55' ' ' PHE . 43.7 t -51.59 116.87 8.49 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.597 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -74.98 82.49 1.99 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.51 1.795 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.406 ' O ' ' C ' ' A' ' 35' ' ' GLU . 67.6 m-85 -59.16 -65.22 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 34' ' ' TYR . 1.4 tp10 -38.27 -37.55 0.29 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.566 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 17.9 mtpt -69.58 -67.48 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.504 ' HE3' ' CE2' ' A' ' 78' ' ' PHE . 72.4 mtp -50.43 -41.97 53.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.976 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 26.6 mt -59.62 -39.88 85.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -74.26 -53.77 9.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.319 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -127.36 120.04 27.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -93.64 18.1 10.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.5 m -99.56 27.23 5.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.039 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -116.21 -55.67 2.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.802 HG11 ' CD2' ' A' ' 78' ' ' PHE . 9.2 t -136.19 149.73 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 24.7 t -116.14 145.99 21.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.339 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.478 HG21 ' CB ' ' A' ' 55' ' ' PHE . 72.6 t -104.84 136.57 37.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -143.68 124.33 14.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.266 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.4 ' O ' ' CG1' ' A' ' 76' ' ' ILE . . . 113.71 29.21 2.95 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.421 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 8.5 mt -101.33 165.2 14.54 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.488 0.758 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.672 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.3 Cg_endo -75.02 168.74 24.15 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 1.0 ' O ' HG23 ' A' ' 53' ' ' VAL . 11.8 tt0 -62.44 144.75 55.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 42.47 45.51 5.45 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.56 1.163 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 1.0 HG23 ' O ' ' A' ' 51' ' ' GLU . 94.8 t -136.7 131.1 47.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.542 0.789 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -99.66 173.58 6.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.829 ' HZ ' HG11 ' A' ' 32' ' ' VAL . 32.5 t80 -86.97 14.89 6.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 111.039 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.447 ' HG3' ' CE1' ' A' ' 61' ' ' TYR . 11.6 pt20 -45.52 169.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.444 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.7 t-80 -50.15 144.83 10.58 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.57 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.696 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.96 -28.56 9.14 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.549 1.815 . . . . 0.0 111.005 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.26 -19.87 2.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 61' ' ' TYR . 40.2 m-80 -89.87 -49.83 6.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.696 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.8 m-30 -37.08 137.0 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' LEU . 3.4 m-20 -71.01 147.17 48.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' ASP . 2.1 tp -39.66 -32.9 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.132 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.402 ' N ' ' C ' ' A' ' 62' ' ' ASP . . . -70.52 -56.29 6.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 56.7 m -53.18 -50.35 64.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.39 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 41.4 mt -48.23 -51.17 26.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.468 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -65.91 -32.53 74.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.405 ' O ' ' N ' ' A' ' 72' ' ' ASN . 50.9 t90 -63.74 -57.64 9.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 108.005 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.536 ' CD1' ' CD2' ' A' ' 61' ' ' TYR . 35.2 mt -45.63 -49.45 4.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.492 ' CD1' HD23 ' A' ' 8' ' ' LEU . 48.8 mt -63.95 -38.22 90.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.14 -7.7 54.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' A' ' 68' ' ' TRP . 9.2 m120 -144.17 40.41 1.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.525 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 5.7 pttt -85.81 -34.25 21.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.79 -19.62 12.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -94.73 -23.56 20.55 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.46 ' CD1' HG23 ' A' ' 69' ' ' ILE . 67.6 mt -73.03 122.95 26.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 0.784 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.9 p -141.29 139.79 33.73 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 110.032 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.802 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -95.22 108.18 20.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 110.952 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.511 ' N ' HD13 ' A' ' 79' ' ' ILE . 4.3 mm -82.27 90.08 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.598 HD13 HG22 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -65.24 144.03 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.152 . . . . 0.0 109.334 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -129.54 -45.78 1.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -168.03 156.5 8.31 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 179.4 6.12 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.501 1.79 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.566 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 41.1 m-85 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.98 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.463 ' CD2' ' HG3' ' A' ' 67' ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.479 ' CD ' ' HA ' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -38.37 -53.79 1.49 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -63.89 -52.48 59.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -39.74 -42.38 1.24 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.535 HG12 ' CE2' ' A' ' 16' ' ' PHE . 96.8 t -67.91 -59.05 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.46 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 2.4 mt-10 -51.87 -25.34 7.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.265 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -74.65 -29.3 61.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.511 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 78.6 t80 -80.85 -61.81 1.85 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.098 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.535 ' CE2' HG12 ' A' ' 12' ' ' VAL . 6.1 m-85 -36.36 -36.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.994 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 70.9 m -65.34 -65.15 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 108.289 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -40.73 -31.63 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.0 m -67.38 -63.74 1.0 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 108.301 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.592 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 5.9 t80 -49.26 -37.66 24.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.6 ' O ' HG22 ' A' ' 26' ' ' THR . . . -70.31 -36.54 70.36 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.472 1.108 . . . . 0.0 110.954 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -71.41 -25.52 62.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 0.794 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.17 -46.81 12.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.525 HD11 ' CD2' ' A' ' 20' ' ' TYR . 4.4 mt -58.72 -21.39 54.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.15 30.97 18.42 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 111.023 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.6 HG22 ' O ' ' A' ' 21' ' ' GLY . 5.7 t -106.19 171.42 7.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.752 . . . . 0.0 110.399 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.601 HG22 ' O ' ' A' ' 27' ' ' THR . 18.4 m -112.99 20.86 15.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.407 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.469 HG22 ' OG1' ' A' ' 26' ' ' THR . 15.4 m -134.16 -177.69 2.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 61.7 mtp -92.77 135.17 34.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.524 HG12 ' CD2' ' A' ' 20' ' ' TYR . 46.5 t -116.4 137.47 23.58 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 18.3 Cg_endo -75.01 106.66 2.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.467 1.772 . . . . 0.0 110.991 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.811 HG11 ' CZ ' ' A' ' 55' ' ' PHE . 56.0 t -51.19 117.33 8.77 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.256 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.592 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -75.07 74.66 3.97 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.458 1.767 . . . . 0.0 110.963 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.525 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 95.1 m-85 -52.29 -64.52 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -38.46 -38.85 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.526 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 5.8 mtpt -70.09 -69.38 0.36 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 79.7 mtp -47.82 -48.28 30.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.6 mt -53.53 -49.83 66.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -61.8 -56.14 22.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.65 125.08 35.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -95.22 18.8 11.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.83 29.24 3.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.021 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -121.22 -54.41 2.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 109.342 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.567 HG22 HD13 ' A' ' 80' ' ' ILE . 10.8 t -135.92 142.84 37.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.6 t -109.67 147.36 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.492 HG21 ' CB ' ' A' ' 55' ' ' PHE . 79.3 t -106.89 138.72 31.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -145.25 126.97 15.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 110.258 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.73 31.06 3.05 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.561 1.163 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.425 ' HA ' HD23 ' A' ' 49' ' ' LEU . 7.0 mt -102.66 165.15 14.25 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.692 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.3 Cg_endo -75.02 172.25 16.74 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.521 1.801 . . . . 0.0 110.946 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 1.022 ' O ' HG23 ' A' ' 53' ' ' VAL . 25.3 tt0 -62.63 146.2 52.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 110.331 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 38.07 48.18 2.01 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.538 1.149 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 1.022 HG23 ' O ' ' A' ' 51' ' ' GLU . 92.8 t -136.82 131.94 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -101.36 172.55 6.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.153 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.811 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 33.4 t80 -85.05 13.3 6.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 57' ' ' HIS . 13.3 pt20 -49.61 162.47 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.451 ' ND1' ' OE1' ' A' ' 59' ' ' GLU . 1.7 t-80 -39.96 142.33 0.7 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.578 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.691 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -75.02 -27.8 9.67 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.447 1.762 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.479 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 12.2 pt-20 -50.39 -20.9 1.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 61' ' ' TYR . 56.6 m-80 -89.02 -48.23 7.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.691 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.8 m-30 -36.83 147.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' LEU . 3.5 m-20 -82.54 148.97 27.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' ASP . 16.8 tp -39.86 -36.41 0.45 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.99 -56.72 7.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.107 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 73.1 m -52.13 -48.35 64.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.427 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 53.9 mt -53.04 -55.11 26.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.463 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -63.52 -28.25 69.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.428 ' O ' ' N ' ' A' ' 71' ' ' GLU . 72.5 t90 -68.24 -63.02 1.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 107.979 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.888 HG23 ' CD1' ' A' ' 76' ' ' ILE . 75.1 mt -42.11 -49.72 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.454 ' CD1' HD23 ' A' ' 8' ' ' LEU . 90.8 mt -60.69 -43.03 98.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 68' ' ' TRP . 0.8 OUTLIER -68.3 -17.49 64.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -135.56 45.81 2.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.511 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 0.7 OUTLIER -81.19 -41.89 21.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.91 -25.6 3.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -83.46 -27.43 39.45 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.46 1.1 . . . . 0.0 110.984 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.888 ' CD1' HG23 ' A' ' 69' ' ' ILE . 37.4 mt -71.53 122.98 24.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 0.779 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.8 p -142.89 135.15 27.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.994 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.529 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -91.14 106.35 18.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.492 ' N ' HD13 ' A' ' 79' ' ' ILE . 4.7 mm -81.37 88.92 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.567 HD13 HG22 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -66.15 131.06 31.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -114.57 -40.19 3.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -174.37 156.64 2.36 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.324 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 178.61 7.04 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.535 1.808 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.526 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 64.6 m-85 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.57 HD22 ' HD2' ' A' ' 67' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 8' ' ' LEU . 2.2 ttm180 -38.04 -48.71 1.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 110.329 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -49.9 65.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -43.85 -47.71 8.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.506 HG12 ' CE2' ' A' ' 16' ' ' PHE . 78.5 t -59.15 -44.92 92.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.454 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 1.8 mm-40 -66.59 -31.18 71.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.321 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.74 -20.93 63.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.561 ' CE2' ' HB2' ' A' ' 73' ' ' LYS . 79.5 t80 -88.4 -62.96 1.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.439 1.087 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.506 ' CE2' HG12 ' A' ' 12' ' ' VAL . 5.7 m-85 -36.14 -40.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 99.4 m -60.47 -63.01 1.45 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.105 . . . . 0.0 108.268 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -40.96 -38.57 0.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.961 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.7 m -62.58 -58.89 5.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 108.296 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.593 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 4.5 t80 -51.94 -40.63 61.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.11 -38.08 92.05 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -70.53 -25.88 63.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 0.754 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.11 -46.14 13.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.585 HD13 HG21 ' A' ' 30' ' ' VAL . 4.4 mt -57.52 -26.02 60.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.62 -8.9 52.0 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.122 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.584 ' OG1' HG22 ' A' ' 28' ' ' VAL . 6.0 t -71.96 168.08 18.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 0.746 . . . . 0.0 110.433 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.2 m -110.63 14.98 22.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.364 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.584 HG22 ' OG1' ' A' ' 26' ' ' THR . 11.0 m -122.96 -178.36 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 60.3 mtp -92.78 127.27 38.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.585 HG21 HD13 ' A' ' 24' ' ' LEU . 53.6 t -110.37 138.95 21.06 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.442 ' HD2' HG13 ' A' ' 30' ' ' VAL . 18.6 Cg_endo -74.95 111.82 3.42 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.49 1.784 . . . . 0.0 111.063 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.839 HG11 ' CZ ' ' A' ' 55' ' ' PHE . 49.5 t -56.95 116.45 13.37 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.593 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.4 Cg_endo -74.99 81.17 2.26 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.455 1.766 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.411 ' O ' ' C ' ' A' ' 35' ' ' GLU . 35.7 m-85 -58.42 -62.81 1.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -38.26 -32.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.551 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 16.9 mttm -76.73 -67.76 0.67 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.521 ' HE3' ' CE2' ' A' ' 78' ' ' PHE . 61.0 mtp -48.58 -37.12 17.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.2 mt -64.46 -41.55 96.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.3 mtt180 -71.15 -53.49 14.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -128.89 120.84 26.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -93.26 18.27 9.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 m -101.01 30.29 4.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 110.001 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -116.57 -60.74 1.82 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.771 HG11 ' CD2' ' A' ' 78' ' ' PHE . 13.2 t -133.21 142.05 43.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.4 t -104.42 154.82 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.523 HG21 ' CB ' ' A' ' 55' ' ' PHE . 74.3 t -113.6 138.97 41.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -144.93 127.82 16.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.58 33.32 2.7 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 49' ' ' LEU . 7.6 mt -105.31 164.44 15.09 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.477 0.751 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.485 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.2 Cg_endo -75.02 156.96 42.91 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.5 1.79 . . . . 0.0 110.977 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -57.33 132.26 52.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 59.34 50.45 67.59 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.485 HG11 ' HG2' ' A' ' 50' ' ' PRO . 99.0 t -148.6 130.08 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 0.747 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.38 174.52 6.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.839 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 37.9 t80 -86.26 14.73 6.06 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -47.75 163.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.262 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.409 ' ND1' ' HD2' ' A' ' 58' ' ' PRO . 1.7 t-80 -42.77 143.26 1.22 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 109.589 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.692 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -74.99 -28.34 9.26 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.531 1.806 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.4 -20.59 1.84 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 61' ' ' TYR . 29.2 m-80 -89.26 -48.3 7.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.692 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.5 m-30 -37.06 146.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 63' ' ' LEU . 1.2 m-20 -82.2 152.98 26.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.462 ' CD1' ' HE3' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -39.71 -48.86 2.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 68' ' ' TRP . . . -56.74 -58.31 8.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 88.7 m -50.32 -53.81 26.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.445 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 44.0 mt -47.96 -52.29 20.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.57 ' HD2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -67.61 -28.73 67.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.328 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.441 ' N ' ' O ' ' A' ' 64' ' ' ALA . 57.4 t90 -66.61 -57.92 6.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 107.988 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.738 HG23 ' CD1' ' A' ' 76' ' ' ILE . 48.9 mt -47.76 -46.07 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.498 ' CD1' HD23 ' A' ' 8' ' ' LEU . 61.0 mt -64.98 -39.75 93.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.244 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.23 -13.12 61.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.122 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -141.32 43.34 1.77 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.561 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . 11.5 pttp -80.97 -41.67 22.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.43 -22.35 2.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -87.44 -24.66 35.7 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.738 ' CD1' HG23 ' A' ' 69' ' ' ILE . 42.8 mt -72.41 121.82 23.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.469 0.747 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.6 m -138.33 142.8 39.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.985 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.771 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -101.27 109.37 21.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 111.032 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.471 ' N ' HD13 ' A' ' 79' ' ' ILE . 5.2 mm -83.36 90.2 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.625 HD13 HG22 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -64.85 139.46 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -125.61 -46.84 1.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.1 ptt180 -167.16 156.58 9.58 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.27 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 178.58 7.07 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.449 1.763 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.551 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 49.5 m-85 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.96 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.563 HD22 ' HD2' ' A' ' 67' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 8' ' ' LEU . 14.1 ttp180 -37.93 -52.6 1.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -50.33 71.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -44.97 -43.33 8.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.511 HG12 ' CE2' ' A' ' 16' ' ' PHE . 74.8 t -61.65 -50.87 78.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.477 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 3.0 mt-10 -57.3 -36.41 71.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 110.331 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -60.58 -40.05 90.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.515 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 67.1 t80 -67.84 -64.67 0.81 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 110.99 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.511 ' CE2' HG12 ' A' ' 12' ' ' VAL . 6.9 m-85 -36.03 -45.18 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 77.4 m -62.45 -55.01 31.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 108.317 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 15' ' ' TYR . 1.1 t80 -50.87 -30.52 14.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.6 m -69.69 -57.16 5.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 108.266 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.579 ' CD2' HD11 ' A' ' 24' ' ' LEU . 2.9 t80 -54.45 -38.74 66.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.25 -35.0 76.1 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt -73.8 -25.63 60.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 0.743 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.74 -45.3 13.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.68 HD13 HG21 ' A' ' 30' ' ' VAL . 3.9 mt -58.97 -33.64 70.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.58 26.26 7.31 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.652 ' OG1' HG22 ' A' ' 28' ' ' VAL . 4.4 t -107.2 162.97 13.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.77 . . . . 0.0 110.405 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.5 m -105.14 21.76 16.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.41 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.652 HG22 ' OG1' ' A' ' 26' ' ' THR . 19.8 m -131.21 -177.96 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.3 mtm -95.64 133.51 39.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.969 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.68 HG21 HD13 ' A' ' 24' ' ' LEU . 58.8 t -111.11 139.26 21.65 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.479 ' HD2' HG13 ' A' ' 30' ' ' VAL . 18.3 Cg_endo -74.98 92.55 0.98 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.481 1.779 . . . . 0.0 110.973 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.734 HG11 ' HZ ' ' A' ' 55' ' ' PHE . 56.1 t -40.2 115.52 1.14 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.57 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -75.06 82.2 2.07 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.515 1.798 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.499 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 94.6 m-85 -59.53 -63.76 1.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -38.92 -39.13 0.5 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 110.334 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.562 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 1.3 mtpp -67.75 -69.23 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.525 ' HE3' ' CE2' ' A' ' 78' ' ' PHE . 77.9 mtp -49.22 -41.8 38.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 111.038 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.3 mt -59.71 -49.08 79.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.2 mtt180 -62.99 -53.85 47.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -132.68 125.77 31.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 109.273 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -96.48 19.02 12.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.324 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 m -95.55 27.15 3.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.967 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -119.48 -52.64 2.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.813 HG11 ' CD2' ' A' ' 78' ' ' PHE . 5.9 t -137.53 151.94 26.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 27.2 t -119.31 145.01 26.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.574 HG21 ' CB ' ' A' ' 55' ' ' PHE . 79.3 t -104.09 137.24 33.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -144.74 125.77 14.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.261 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 112.66 31.42 2.55 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.414 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 7.7 mt -103.2 164.47 15.42 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.472 0.748 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.426 ' HG2' HG21 ' A' ' 53' ' ' VAL . 18.3 Cg_endo -74.96 157.28 43.03 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.591 1.837 . . . . 0.0 110.981 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -59.23 129.11 40.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 110.289 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 65.31 48.99 63.63 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.56 1.162 . . . . 0.0 111.049 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.426 HG21 ' HG2' ' A' ' 50' ' ' PRO . 85.7 t -150.23 135.48 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.441 0.73 . . . . 0.0 109.321 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -103.17 178.35 4.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.734 ' HZ ' HG11 ' A' ' 32' ' ' VAL . 45.5 t80 -88.78 15.1 8.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -50.9 166.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.418 ' ND1' ' OE2' ' A' ' 59' ' ' GLU . 1.7 t-80 -43.3 142.11 1.73 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.589 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.685 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.95 -28.54 9.17 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.419 1.747 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.418 ' OE2' ' ND1' ' A' ' 57' ' ' HIS . 12.4 pt-20 -49.6 -21.88 1.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 61' ' ' TYR . 32.1 m-80 -88.67 -48.21 7.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.685 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.1 m-30 -37.01 139.32 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 111.012 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 63' ' ' LEU . 2.5 m-20 -74.44 150.97 39.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.457 ' CD2' ' HE2' ' A' ' 67' ' ' LYS . 1.3 tp -39.24 -51.45 1.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 68' ' ' TRP . . . -54.67 -54.31 43.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 83.7 m -53.47 -55.32 26.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.423 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 44.1 mt -47.0 -49.45 20.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.361 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.563 ' HD2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -69.37 -29.49 67.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.408 ' N ' ' O ' ' A' ' 64' ' ' ALA . 61.3 t90 -65.78 -58.52 5.45 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.816 HG23 ' CD1' ' A' ' 76' ' ' ILE . 68.4 mt -46.01 -49.92 4.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.42 ' CD1' HD23 ' A' ' 8' ' ' LEU . 70.5 mt -60.89 -43.5 98.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.45 -18.41 65.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -135.72 46.78 2.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.15 . . . . 0.0 109.321 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 1.5 ptmm? -82.35 -43.4 17.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.95 -23.47 2.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -83.76 -27.0 39.79 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.467 1.104 . . . . 0.0 111.004 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.816 ' CD1' HG23 ' A' ' 69' ' ' ILE . 57.7 mt -72.19 122.85 25.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.529 0.782 . . . . 0.0 109.308 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.8 m -141.73 135.15 29.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.001 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.813 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -92.01 108.09 19.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.48 ' N ' HD13 ' A' ' 79' ' ' ILE . 4.8 mm -83.55 91.08 2.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.625 HD13 HG22 ' A' ' 44' ' ' VAL . 0.9 OUTLIER -65.77 150.88 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -137.29 -47.34 0.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 109.247 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -164.3 156.3 14.31 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.276 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -176.05 2.68 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.458 1.767 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.562 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 27.5 m-85 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.468 ' CD2' ' HG3' ' A' ' 67' ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.7 mtm180 -43.43 -45.99 6.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 13' ' ' GLU . 10.2 mmtm -70.39 -52.59 21.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -40.64 -53.14 2.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.476 HG12 ' CE2' ' A' ' 16' ' ' PHE . 83.1 t -54.33 -44.33 65.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.466 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 2.6 mt-10 -68.75 -30.21 68.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -74.74 -16.36 60.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 33.1 t80 -92.06 -60.73 1.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.476 ' CE2' HG12 ' A' ' 12' ' ' VAL . 4.1 m-85 -37.63 -39.56 0.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 89.8 m -64.12 -53.51 48.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 108.288 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.463 ' N ' ' O ' ' A' ' 15' ' ' TYR . 1.5 t80 -49.55 -28.21 5.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.0 m -73.92 -58.99 2.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 108.28 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.592 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 4.6 t80 -53.22 -35.85 60.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.35 -35.4 60.09 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.4 mttm -73.6 -26.44 60.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 0.736 . . . . 0.0 109.268 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.8 -44.61 15.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.353 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.685 HD13 HG21 ' A' ' 30' ' ' VAL . 5.5 mt -59.3 -32.43 70.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.138 . . . . 0.0 109.297 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.27 28.13 7.36 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.589 ' OG1' HG22 ' A' ' 28' ' ' VAL . 14.9 t -109.65 152.58 25.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 110.386 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.7 p -94.01 23.53 4.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 110.413 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.589 HG22 ' OG1' ' A' ' 26' ' ' THR . 27.0 m -132.73 -174.63 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.7 mtm -99.75 131.82 45.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.685 HG21 HD13 ' A' ' 24' ' ' LEU . 59.1 t -109.41 138.38 20.52 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.456 ' HD2' HG13 ' A' ' 30' ' ' VAL . 18.2 Cg_endo -75.03 101.06 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.476 1.777 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.734 HG11 ' CZ ' ' A' ' 55' ' ' PHE . 51.5 t -47.66 113.75 2.78 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.592 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -75.02 83.97 1.74 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.485 1.782 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.446 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 96.4 m-85 -60.16 -64.92 0.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 111.034 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -36.66 -40.16 0.24 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.554 1.159 . . . . 0.0 110.317 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.549 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 67.4 mttt -69.47 -69.12 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.539 ' HE3' ' CE2' ' A' ' 78' ' ' PHE . 89.6 mtp -47.7 -37.37 12.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.8 mt -65.48 -51.49 59.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -60.22 -53.12 61.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -130.47 127.67 39.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -98.54 16.19 22.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.246 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.22 27.49 3.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.983 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -118.85 -54.48 2.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.261 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.852 HG11 ' CD2' ' A' ' 78' ' ' PHE . 8.2 t -136.7 152.21 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.273 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.6 t -119.35 150.52 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.554 HG21 ' CB ' ' A' ' 55' ' ' PHE . 69.5 t -110.02 136.65 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -144.94 124.09 12.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.267 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 115.22 30.16 2.35 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.417 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 7.0 mt -101.73 164.55 15.67 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.417 ' HD2' ' HB3' ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.01 158.55 42.1 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.477 1.778 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.61 129.74 43.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 64.17 49.51 66.07 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 89.6 t -150.99 135.86 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.258 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -103.61 -179.88 4.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.734 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 44.6 t80 -89.88 14.75 11.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -49.6 165.77 0.06 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.403 ' ND1' ' HD2' ' A' ' 58' ' ' PRO . 1.7 t-80 -44.28 143.11 2.04 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.568 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.688 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.0 -29.0 8.69 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 0.0 110.99 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -48.8 -22.5 0.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 61' ' ' TYR . 9.3 m120 -87.58 -49.34 7.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.688 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.1 m-30 -37.35 144.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 65' ' ' THR . 1.8 m-20 -78.38 147.65 34.01 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.4 tp -40.27 -36.69 0.55 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.2 -54.08 24.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 62' ' ' ASP . 93.5 m -54.83 -51.03 67.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.364 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 38.9 mt -48.6 -50.51 32.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.468 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -67.15 -31.52 72.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 63.3 t90 -64.94 -58.64 5.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 107.99 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.881 HG23 ' CD1' ' A' ' 76' ' ' ILE . 73.3 mt -45.08 -52.12 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 90.2 mt -59.99 -43.35 95.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.262 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.91 -17.61 64.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.251 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -136.04 45.3 2.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 1.7 ptmm? -81.04 -42.14 21.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.73 -23.74 2.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.63 -28.28 32.88 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.494 1.121 . . . . 0.0 111.017 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.881 ' CD1' HG23 ' A' ' 69' ' ' ILE . 60.7 mt -72.23 119.72 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 0.778 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 m -138.05 136.87 37.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.852 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -93.62 110.82 22.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.945 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.496 ' N ' HD13 ' A' ' 79' ' ' ILE . 4.7 mm -84.25 91.04 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.579 1.174 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.596 HD13 HG22 ' A' ' 44' ' ' VAL . 0.8 OUTLIER -68.58 142.45 16.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -129.39 -45.89 1.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -163.47 155.4 15.04 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 176.55 9.77 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.523 1.802 . . . . 0.0 110.951 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.549 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 45.1 m-85 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 111.032 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.45 ' CD2' ' HG3' ' A' ' 67' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 8' ' ' LEU . 11.8 ttp180 -38.33 -55.5 1.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 13' ' ' GLU . 0.4 OUTLIER -58.79 -49.72 76.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 8' ' ' LEU . . . -46.47 -46.1 18.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.598 HG11 ' HB3' ' A' ' 58' ' ' PRO . 49.4 t -60.18 -36.69 69.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.47 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 2.3 mt-10 -72.9 -39.36 66.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.334 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.34 -21.53 66.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 44.9 t80 -83.51 -66.76 0.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.945 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.428 ' CD1' ' HE1' ' A' ' 55' ' ' PHE . 6.6 m-85 -36.71 -37.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.953 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 78.6 m -64.04 -67.02 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 108.324 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -40.55 -33.85 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 62.6 m -65.89 -60.67 2.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 108.299 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.587 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 4.9 t80 -52.93 -36.47 59.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.63 ' O ' HG22 ' A' ' 26' ' ' THR . . . -71.76 -33.35 63.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -75.56 -26.55 58.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.759 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.87 -44.91 14.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.564 HD13 HG21 ' A' ' 30' ' ' VAL . 5.4 mt -57.66 -27.06 62.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.85 31.08 7.95 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.63 HG22 ' O ' ' A' ' 21' ' ' GLY . 9.0 t -110.14 168.4 9.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 0.756 . . . . 0.0 110.411 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.626 HG22 ' O ' ' A' ' 27' ' ' THR . 8.4 m -109.12 20.98 17.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.369 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.451 HG22 ' OG1' ' A' ' 26' ' ' THR . 14.8 m -133.34 -176.73 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 80.6 mtp -94.65 136.24 35.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.564 HG21 HD13 ' A' ' 24' ' ' LEU . 62.0 t -116.41 137.27 23.43 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 18.4 Cg_endo -74.97 105.69 2.13 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.535 1.808 . . . . 0.0 111.036 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.734 HG11 ' HZ ' ' A' ' 55' ' ' PHE . 55.7 t -51.62 114.48 5.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.587 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -75.0 81.43 2.21 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.462 1.769 . . . . 0.0 111.035 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.461 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 97.0 m-85 -57.6 -64.76 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 34' ' ' TYR . 2.2 tp10 -37.18 -39.06 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.473 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 15.0 mttm -71.13 -69.01 0.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.518 ' HE3' ' CE2' ' A' ' 78' ' ' PHE . 90.0 mtp -47.19 -38.37 11.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.7 mt -65.83 -48.51 71.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.247 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.9 mtt-85 -63.36 -50.18 70.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.338 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.57 124.81 30.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -97.51 17.22 18.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.3 26.86 5.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.961 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -116.84 -52.93 2.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.843 HG11 ' CD2' ' A' ' 78' ' ' PHE . 10.5 t -139.44 152.12 23.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.6 t -117.88 155.61 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.509 HG21 ' CB ' ' A' ' 55' ' ' PHE . 75.2 t -114.76 135.05 55.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -142.76 125.17 15.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.273 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.36 27.6 3.58 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.42 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 7.9 mt -99.41 165.1 15.39 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.499 0.764 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.654 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.2 Cg_endo -75.02 172.5 16.24 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.447 1.762 . . . . 0.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 1.012 ' O ' HG23 ' A' ' 53' ' ' VAL . 6.0 tt0 -64.56 144.16 57.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 41.78 46.01 4.79 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.466 1.104 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 1.012 HG23 ' O ' ' A' ' 51' ' ' GLU . 95.3 t -136.65 129.34 45.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 0.781 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.79 177.02 5.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.734 ' HZ ' HG11 ' A' ' 32' ' ' VAL . 34.2 t80 -89.6 15.15 9.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.983 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.482 ' HG3' ' CE1' ' A' ' 61' ' ' TYR . 8.6 pt20 -46.87 170.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.521 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.5 t-80 -50.58 147.1 8.52 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.617 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.68 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -74.98 -31.8 5.93 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.485 1.782 . . . . 0.0 111.033 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -49.17 -22.02 0.89 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -88.13 -49.68 6.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.68 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.6 m-30 -38.37 139.25 0.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 63' ' ' LEU . 4.8 m-20 -73.44 149.67 42.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 62' ' ' ASP . 19.1 tp -39.37 -43.14 1.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.89 -55.85 25.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 90.3 m -52.32 -52.08 55.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 110.407 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 44.7 mt -49.19 -53.06 23.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.45 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -63.88 -31.52 72.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.445 ' O ' ' N ' ' A' ' 71' ' ' GLU . 62.4 t90 -65.92 -60.84 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.516 ' CD1' ' CD2' ' A' ' 61' ' ' TYR . 40.1 mt -41.43 -52.95 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 109.312 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.03 -40.73 90.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 68' ' ' TRP . 0.2 OUTLIER -70.34 -10.77 59.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.336 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -142.6 42.67 1.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 11.9 pttp -82.27 -38.37 24.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.0 -29.39 43.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.96 -26.9 52.08 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.472 1.108 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.467 ' CD1' HG23 ' A' ' 69' ' ' ILE . 69.9 mt -72.59 123.1 26.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.757 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.0 m -140.46 141.06 35.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.967 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.843 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -97.14 112.72 24.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.955 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.457 ' N ' HD13 ' A' ' 79' ' ' ILE . 5.5 mm -85.1 91.21 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.611 HD13 HG22 ' A' ' 44' ' ' VAL . 0.7 OUTLIER -68.88 134.07 30.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -119.46 -47.73 2.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.7 ptt180 -163.82 156.15 15.1 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.295 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -178.32 4.09 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.502 1.791 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.473 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 47.6 m-85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.47 ' CD2' ' HG3' ' A' ' 67' ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.1 mtm180 -40.25 -50.08 2.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.253 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 13' ' ' GLU . 5.7 mmtm -65.17 -52.37 55.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -42.93 -44.69 4.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.158 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.549 HG11 ' HB3' ' A' ' 58' ' ' PRO . 54.5 t -62.68 -42.83 97.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.474 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 1.7 mm-40 -68.07 -38.45 82.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.261 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' A' ' 14' ' ' ASP . 45.5 t0 -58.96 -32.9 70.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.422 ' O ' ' C ' ' A' ' 16' ' ' PHE . 58.8 t80 -74.81 -66.32 0.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.43 ' CE2' HG12 ' A' ' 12' ' ' VAL . 7.6 m-85 -36.35 -38.54 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 75.2 m -63.29 -61.18 2.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 108.325 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.49 -38.46 9.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.963 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 31.2 m -57.68 -65.95 0.55 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 108.31 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.613 ' O ' HD12 ' A' ' 24' ' ' LEU . 2.7 t80 -49.5 -36.96 24.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.517 ' O ' HG22 ' A' ' 26' ' ' THR . . . -71.41 -36.14 63.1 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.527 1.142 . . . . 0.0 110.956 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -73.14 -26.42 61.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.86 -46.07 13.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.613 HD12 ' O ' ' A' ' 20' ' ' TYR . 4.6 mt -57.79 -27.7 63.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.73 29.17 10.18 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.517 1.136 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.517 HG22 ' O ' ' A' ' 21' ' ' GLY . 7.7 t -105.83 170.35 7.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 110.4 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 43.9 m -110.74 13.9 22.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.141 . . . . 0.0 110.411 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.51 HG22 ' OG1' ' A' ' 26' ' ' THR . 16.2 m -124.88 -176.74 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 72.6 mtp -94.37 134.01 37.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.945 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.563 HG21 HD13 ' A' ' 24' ' ' LEU . 24.7 t -113.49 133.65 22.13 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 18.2 Cg_endo -75.01 99.69 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.518 1.799 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.816 HG11 ' CZ ' ' A' ' 55' ' ' PHE . 46.0 t -46.83 117.21 4.37 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.595 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.4 Cg_endo -74.99 84.2 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.464 1.77 . . . . 0.0 110.963 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.445 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 93.4 m-85 -61.25 -64.58 0.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -38.22 -39.03 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.445 ' HB3' ' CD2' ' A' ' 84' ' ' PHE . 18.5 mttm -67.66 -69.27 0.33 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 73.8 mtp -49.86 -46.19 51.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 16.3 mt -53.89 -45.05 70.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -68.5 -53.04 25.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 110.244 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -134.66 121.12 20.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -92.3 19.68 6.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.5 m -93.75 24.37 4.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 110.01 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -117.67 -52.31 2.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.72 HG11 ' CD2' ' A' ' 78' ' ' PHE . 5.2 t -135.7 153.18 32.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.1 t -120.28 142.0 38.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.526 HG21 ' CB ' ' A' ' 55' ' ' PHE . 71.8 t -101.82 137.7 28.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -144.13 129.02 18.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 110.346 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.16 32.15 3.58 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.412 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 6.8 mt -103.0 165.03 14.36 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.509 0.77 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.617 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.4 Cg_endo -74.99 170.01 21.37 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.504 1.792 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.596 ' O ' HG23 ' A' ' 53' ' ' VAL . 2.8 tt0 -66.6 137.7 56.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 110.261 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 50.82 46.08 48.85 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.617 HG11 ' HG2' ' A' ' 50' ' ' PRO . 77.9 t -140.23 129.09 26.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 0.0 109.282 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -98.03 171.7 8.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.816 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 28.9 t80 -84.22 12.32 6.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 111.049 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -47.62 163.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 110.306 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.455 ' ND1' ' OE1' ' A' ' 59' ' ' GLU . 1.7 t-80 -41.06 143.49 0.74 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.617 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.691 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -75.0 -28.63 9.01 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.48 1.779 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.455 ' OE1' ' ND1' ' A' ' 57' ' ' HIS . 9.9 pt-20 -49.91 -21.33 1.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 61' ' ' TYR . 54.0 m-80 -88.65 -48.26 7.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.691 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.9 m-30 -37.38 144.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.408 ' C ' ' N ' ' A' ' 64' ' ' ALA . 1.5 m-20 -77.84 148.05 34.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.8 tp -40.14 -32.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.408 ' N ' ' C ' ' A' ' 62' ' ' ASP . . . -70.6 -59.98 2.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 76.6 m -49.89 -49.66 48.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.384 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.416 ' CD2' HG21 ' A' ' 12' ' ' VAL . 47.1 mt -49.12 -53.46 20.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.47 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -66.71 -28.49 68.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.352 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 66.9 t90 -67.24 -60.27 2.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 108.051 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.85 HG23 ' CD1' ' A' ' 76' ' ' ILE . 58.5 mt -44.31 -50.53 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.0 mt -60.74 -43.73 97.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -18.57 65.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -137.51 46.86 2.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.237 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 76' ' ' ILE . 1.0 OUTLIER -80.4 -43.27 21.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.91 -22.55 2.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.8 -26.89 36.44 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.85 ' CD1' HG23 ' A' ' 69' ' ' ILE . 40.5 mt -72.28 124.32 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 109.255 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.0 m -142.31 137.2 30.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.965 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.72 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -93.83 102.88 15.01 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.456 ' N ' HD13 ' A' ' 79' ' ' ILE . 5.1 mm -81.48 89.65 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.689 ' CD1' HG22 ' A' ' 44' ' ' VAL . 1.2 mm -61.75 155.45 4.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -138.71 -47.64 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.83 156.83 19.94 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 110.274 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 175.63 10.99 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.455 1.766 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.445 ' CD2' ' HB3' ' A' ' 36' ' ' LYS . 26.4 m-85 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.442 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 8' ' ' LEU . 9.7 ttp180 -38.21 -54.06 1.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.338 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -59.97 -47.08 87.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 8' ' ' LEU . . . -48.18 -44.46 32.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.439 HG12 ' CE2' ' A' ' 16' ' ' PHE . 78.6 t -63.93 -38.5 82.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.473 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 1.8 mt-10 -70.79 -39.76 72.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -67.02 -19.99 65.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 33.1 t80 -85.34 -64.39 1.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 111.023 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.439 ' CE2' HG12 ' A' ' 12' ' ' VAL . 4.4 m-85 -37.23 -34.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 75.2 m -66.69 -66.28 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.416 1.072 . . . . 0.0 108.266 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -38.49 -32.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 111.039 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.9 m -67.55 -67.86 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 108.255 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.58 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 4.9 t80 -45.72 -33.46 3.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.415 ' O ' HG22 ' A' ' 26' ' ' THR . . . -74.53 -36.19 49.75 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -71.27 -25.03 62.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.7 -44.92 12.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.618 HD13 HG21 ' A' ' 30' ' ' VAL . 6.3 mt -57.94 -29.17 64.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.1 28.22 10.14 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.514 1.133 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.512 ' OG1' HG22 ' A' ' 28' ' ' VAL . 7.7 t -105.76 168.79 8.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 0.744 . . . . 0.0 110.371 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 36.0 p -110.06 16.83 21.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 110.413 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.512 HG22 ' OG1' ' A' ' 26' ' ' THR . 15.6 m -128.2 -173.02 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 71.5 mtp -97.91 133.12 42.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 111.039 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.618 HG21 HD13 ' A' ' 24' ' ' LEU . 43.9 t -111.64 135.08 21.12 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 18.2 Cg_endo -74.91 99.97 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.471 1.774 . . . . 0.0 110.984 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.796 HG11 ' CZ ' ' A' ' 55' ' ' PHE . 55.9 t -46.43 115.35 3.09 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.58 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -74.98 82.26 2.04 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.481 1.78 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.433 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 95.7 m-85 -58.12 -66.67 0.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 34' ' ' TYR . 2.6 tp10 -36.58 -41.45 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.354 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.462 ' HB3' ' CD2' ' A' ' 84' ' ' PHE . 59.1 mttt -66.85 -68.82 0.35 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.43 ' HE3' ' CE2' ' A' ' 78' ' ' PHE . 77.9 mtp -47.6 -44.24 26.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 111.05 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.0 mt -59.5 -44.39 93.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.331 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -53.2 35.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -132.57 124.29 28.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -95.34 19.26 11.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -96.58 27.82 3.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -119.62 -57.97 1.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.349 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.883 HG11 ' CD2' ' A' ' 78' ' ' PHE . 10.5 t -133.31 151.48 33.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.0 t -118.94 150.44 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.567 HG21 ' CB ' ' A' ' 55' ' ' PHE . 76.2 t -109.45 137.19 42.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.332 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -144.33 126.72 15.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.3 30.0 3.27 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.526 1.141 . . . . 0.0 110.971 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.417 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 8.3 mt -100.8 165.02 15.03 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.767 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.47 ' HG2' HG21 ' A' ' 53' ' ' VAL . 18.5 Cg_endo -74.97 161.9 38.08 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.5 1.79 . . . . 0.0 111.046 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -63.08 131.64 49.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.333 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 62.3 47.51 89.14 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.442 1.088 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.47 HG21 ' HG2' ' A' ' 50' ' ' PRO . 97.8 t -146.4 141.28 21.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 0.773 . . . . 0.0 109.255 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -109.7 175.21 5.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.796 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 39.8 t80 -86.31 15.33 5.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -50.3 164.22 0.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.467 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.6 t-80 -43.61 145.59 1.11 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.548 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.687 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.1 Cg_endo -75.02 -32.17 5.58 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.442 1.759 . . . . 0.0 110.956 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.59 -23.68 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 110.253 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 61' ' ' TYR . 47.6 m-80 -86.39 -49.39 7.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.687 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.2 m-30 -37.59 135.78 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.433 ' C ' ' N ' ' A' ' 64' ' ' ALA . 0.7 OUTLIER -70.24 146.46 50.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 62' ' ' ASP . 15.9 tp -39.49 -30.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 62' ' ' ASP . . . -72.59 -57.0 4.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 52.7 m -52.14 -48.3 64.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.115 . . . . 0.0 110.419 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 43.6 mt -50.14 -54.38 21.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -30.42 71.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.251 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 58.7 t90 -66.26 -57.28 7.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 107.994 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.818 HG23 ' CD1' ' A' ' 76' ' ' ILE . 80.4 mt -46.26 -52.04 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.439 ' CD1' HD23 ' A' ' 8' ' ' LEU . 70.9 mt -59.39 -42.51 91.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.9 -17.88 65.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -138.41 47.85 1.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 1.4 ptmm? -83.16 -44.15 15.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.17 -26.43 4.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.55 -29.54 43.55 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.818 ' CD1' HG23 ' A' ' 69' ' ' ILE . 66.4 mt -72.19 117.46 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.434 0.726 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.7 m -133.51 142.45 48.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.995 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.883 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -97.73 110.02 22.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 110.962 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.454 ' N ' HD13 ' A' ' 79' ' ' ILE . 5.3 mm -83.92 89.47 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.495 HD13 HG22 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -67.53 147.87 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -134.64 -51.61 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.9 ptt180 -156.73 156.03 29.34 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 176.07 10.41 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.518 1.799 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.462 ' CD2' ' HB3' ' A' ' 36' ' ' LYS . 23.3 m-85 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.483 HD23 ' CD1' ' A' ' 70' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.491 ' CD ' ' HA ' ' A' ' 59' ' ' GLU . 5.1 ttp180 -39.96 -32.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 110.306 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 13' ' ' GLU . 0.5 OUTLIER -83.39 -50.58 8.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -43.87 -51.42 7.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.569 HG11 ' HB3' ' A' ' 58' ' ' PRO . 57.2 t -52.42 -38.3 25.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.473 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 2.8 mt-10 -73.54 -37.17 65.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.4 -16.74 64.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.524 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 45.2 t80 -89.74 -64.47 1.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.424 ' CD1' ' HE1' ' A' ' 55' ' ' PHE . 6.2 m-85 -37.89 -42.52 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.138 . . . . 0.0 110.994 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 83.4 m -60.47 -58.53 8.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 108.275 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -47.47 -35.81 9.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 13.5 m -65.13 -62.92 1.26 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 108.304 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.587 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 5.0 t80 -49.15 -41.15 35.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.406 ' O ' HG22 ' A' ' 26' ' ' THR . . . -66.59 -41.06 94.25 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.476 1.11 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -67.1 -27.6 67.48 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.517 0.775 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.63 -44.75 15.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.579 HD13 HG21 ' A' ' 30' ' ' VAL . 5.8 mt -58.26 -27.31 63.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.65 23.08 19.52 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.115 . . . . 0.0 110.969 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.454 ' OG1' HG22 ' A' ' 28' ' ' VAL . 14.9 t -102.17 153.04 20.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 0.753 . . . . 0.0 110.429 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 27' ' ' THR . 74.7 m -93.96 23.76 4.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 110.392 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.454 HG22 ' OG1' ' A' ' 26' ' ' THR . 16.5 m -139.23 -179.45 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 76.7 mtp -91.67 137.05 32.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.579 HG21 HD13 ' A' ' 24' ' ' LEU . 59.8 t -115.27 139.01 23.95 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.471 ' HD2' HG13 ' A' ' 30' ' ' VAL . 18.3 Cg_endo -75.03 104.66 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.471 1.774 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.78 HG11 ' CZ ' ' A' ' 55' ' ' PHE . 54.3 t -50.98 116.31 7.08 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.587 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -74.99 78.51 2.87 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.532 1.806 . . . . 0.0 110.993 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.478 ' O ' ' C ' ' A' ' 35' ' ' GLU . 91.9 m-85 -55.13 -70.07 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' A' ' 34' ' ' TYR . 0.7 OUTLIER -32.69 -46.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.257 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 39' ' ' ARG . 30.7 mttt -62.95 -67.73 0.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 87.9 mtp -46.59 -35.97 6.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.8 mt -70.64 -33.72 71.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -74.92 -48.32 25.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -143.49 117.92 9.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -88.98 19.47 4.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.16 27.11 2.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.038 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -121.09 -59.82 1.69 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.891 HG11 ' CD2' ' A' ' 78' ' ' PHE . 4.7 t -126.53 151.2 32.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.348 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 64.0 t -121.35 141.72 40.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.532 HG21 ' CB ' ' A' ' 55' ' ' PHE . 74.3 t -100.64 138.85 23.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -146.07 127.17 14.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.3 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.26 32.04 3.11 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.132 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.42 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 8.7 mt -102.78 165.13 14.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.477 0.751 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.659 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.4 Cg_endo -75.02 168.59 24.49 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.499 1.789 . . . . 0.0 110.972 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.779 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -63.19 142.54 58.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 45.52 46.23 12.17 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 51' ' ' GLU . 71.2 t -137.93 134.18 45.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.758 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -103.76 172.88 6.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 109.259 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.78 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 32.6 t80 -86.02 13.97 6.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 57' ' ' HIS . 13.3 pt20 -48.18 159.8 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.462 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.6 t-80 -39.45 145.44 0.42 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.602 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.696 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.1 Cg_endo -75.04 -31.07 6.46 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.497 1.788 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.491 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 1.4 pp20? -47.83 -23.04 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 110.291 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 61' ' ' TYR . 46.6 m-80 -86.34 -50.0 7.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.696 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.7 m-30 -37.16 143.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 63' ' ' LEU . 0.6 OUTLIER -78.17 150.51 33.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 62' ' ' ASP . 3.7 tp -39.99 -38.63 0.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.433 1.083 . . . . 0.0 109.268 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.35 -54.51 19.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 88.3 m -54.53 -49.15 70.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 110.428 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 46.6 mt -51.3 -52.75 42.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.96 -28.8 68.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.271 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 55.2 t90 -66.07 -58.01 6.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 108.029 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.828 HG23 ' CD1' ' A' ' 76' ' ' ILE . 72.8 mt -46.73 -51.07 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.483 ' CD1' HD23 ' A' ' 8' ' ' LEU . 89.3 mt -59.07 -43.73 91.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.81 -18.05 65.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -135.19 45.18 2.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 1.5 ptmm? -83.32 -41.22 18.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.24 -26.2 6.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.318 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -83.36 -27.66 39.02 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.462 1.101 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.828 ' CD1' HG23 ' A' ' 69' ' ' ILE . 66.2 mt -72.27 123.33 26.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.4 m -141.1 139.05 33.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.976 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.891 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -95.4 104.85 16.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.972 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.522 ' N ' HD13 ' A' ' 79' ' ' ILE . 4.1 mm -80.38 92.19 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.489 HD13 ' HA ' ' A' ' 80' ' ' ILE . 0.4 OUTLIER -69.14 151.43 10.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -137.69 -47.38 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -159.52 156.91 26.09 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 176.34 10.05 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.53 1.805 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.407 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 10.0 m-85 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.447 HD23 HD12 ' A' ' 70' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.409 ' HD2' ' CB ' ' A' ' 59' ' ' GLU . 8.9 ttp180 -38.08 -52.1 1.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.294 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 39.0 mmtt -57.61 -53.36 59.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -45.68 -44.54 13.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.548 HG12 ' CE2' ' A' ' 16' ' ' PHE . 91.4 t -61.72 -43.21 96.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.072 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.474 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 1.7 mt-10 -67.06 -43.04 83.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -58.82 -34.59 71.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 73' ' ' LYS . 69.1 t80 -71.04 -64.69 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.548 ' CE2' HG12 ' A' ' 12' ' ' VAL . 6.2 m-85 -36.02 -37.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 79.4 m -64.49 -63.28 1.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 108.309 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -41.42 -38.17 1.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.408 ' O ' ' N ' ' A' ' 22' ' ' LYS . 20.9 m -62.12 -69.16 0.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 108.278 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.587 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 5.0 t80 -41.71 -44.05 3.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.424 ' HA2' HG21 ' A' ' 30' ' ' VAL . . . -62.61 -40.14 98.77 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.436 1.085 . . . . 0.0 111.028 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 19' ' ' CYS . 9.1 mttt -68.38 -24.02 64.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 0.74 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.3 -48.69 10.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.541 HD11 ' CD2' ' A' ' 20' ' ' TYR . 2.3 mt -57.63 -30.6 65.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.61 -15.91 10.51 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.538 ' OG1' HG22 ' A' ' 28' ' ' VAL . 8.8 t -77.75 174.3 11.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 0.75 . . . . 0.0 110.38 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 88.7 m -121.64 2.72 10.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.401 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.538 HG22 ' OG1' ' A' ' 26' ' ' THR . 35.1 m -91.45 -169.73 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.6 mtm -100.9 109.1 21.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 110.98 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.498 HG11 ' CD1' ' A' ' 24' ' ' LEU . 10.7 t -91.65 135.72 27.4 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 32' ' ' VAL . 18.3 Cg_endo -74.97 91.2 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.533 1.807 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.846 HG11 ' HZ ' ' A' ' 55' ' ' PHE . 51.7 t -39.9 115.51 1.09 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.587 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -74.99 84.23 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.559 1.82 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.492 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 81.5 m-85 -60.51 -63.51 1.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.96 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -37.77 -39.07 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.334 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.56 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 14.8 mttm -69.6 -68.79 0.38 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.532 ' CE ' ' CZ ' ' A' ' 78' ' ' PHE . 70.1 mtp -48.81 -45.17 39.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.978 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 26.5 mt -56.92 -49.13 76.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -63.72 -51.74 63.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.334 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -135.9 124.33 23.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -94.3 17.71 12.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.262 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.15 28.57 2.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.01 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -121.77 -55.81 1.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.779 HG11 ' CD2' ' A' ' 78' ' ' PHE . 13.1 t -131.07 146.14 34.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.0 t -112.28 152.07 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.477 HG21 ' CB ' ' A' ' 55' ' ' PHE . 77.0 t -113.41 135.71 52.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -143.34 127.28 17.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 110.308 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.77 32.77 2.8 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 0.0 110.953 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 49' ' ' LEU . 7.0 mt -103.76 165.28 13.76 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.528 0.781 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.609 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.2 Cg_endo -75.03 168.9 23.8 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.501 1.79 . . . . 0.0 110.935 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.58 ' O ' HG23 ' A' ' 53' ' ' VAL . 2.1 tt0 -66.27 136.99 56.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 52.23 45.69 57.54 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.126 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.609 HG11 ' HG2' ' A' ' 50' ' ' PRO . 70.3 t -140.75 130.8 27.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.555 0.797 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -98.39 173.75 6.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.846 ' HZ ' HG11 ' A' ' 32' ' ' VAL . 29.3 t80 -85.46 13.85 6.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -47.04 167.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.4 ' ND1' ' HD2' ' A' ' 58' ' ' PRO . 1.7 t-80 -47.27 143.0 5.36 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.613 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.669 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -75.02 -26.37 10.95 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.409 ' CB ' ' HD2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -52.81 -19.43 2.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 0.0 110.31 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 61' ' ' TYR . 9.0 m120 -91.87 -47.89 7.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.669 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 17.9 m-30 -35.85 143.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 63' ' ' LEU . 1.2 m-20 -78.29 151.5 32.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.373 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 62' ' ' ASP . 11.3 tp -39.61 -46.12 1.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 68' ' ' TRP . . . -60.02 -57.06 14.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 87.2 m -50.96 -53.06 36.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.365 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 46.0 mt -48.07 -52.51 19.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.268 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.446 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -68.17 -28.71 67.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.443 ' N ' ' O ' ' A' ' 64' ' ' ALA . 56.4 t90 -65.55 -57.89 7.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 108.052 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.735 HG23 ' CD1' ' A' ' 76' ' ' ILE . 50.9 mt -47.26 -47.14 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.447 HD12 HD23 ' A' ' 8' ' ' LEU . 84.3 mt -64.16 -40.47 96.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.59 -13.93 62.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -141.03 43.74 1.8 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.572 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . 12.8 pttp -80.91 -42.14 21.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.6 -23.5 2.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -86.39 -25.44 36.32 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.735 ' CD1' HG23 ' A' ' 69' ' ' ILE . 39.7 mt -71.99 121.69 22.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 0.774 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.9 m -141.53 136.73 31.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.988 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.779 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -91.8 106.03 18.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 111.01 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.44 ' N ' HD13 ' A' ' 79' ' ' ILE . 5.7 mm -84.01 95.56 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.729 ' CD1' HG22 ' A' ' 44' ' ' VAL . 1.6 mm -69.61 154.97 7.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -137.28 -48.0 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.98 156.65 15.24 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 177.11 9.04 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.502 1.79 . . . . 0.0 110.978 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.56 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 52.1 m-85 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 111.007 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.472 HD22 ' HD2' ' A' ' 67' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 8' ' ' LEU . 2.3 ttm180 -38.57 -40.72 0.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 13' ' ' GLU . 24.6 tptt -75.25 -49.17 20.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.098 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -42.59 -52.89 4.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.525 HG12 ' CE2' ' A' ' 16' ' ' PHE . 47.9 t -53.43 -41.27 44.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.469 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 2.6 mt-10 -69.58 -36.73 76.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.426 ' O ' ' HE3' ' A' ' 29' ' ' MET . 9.8 t70 -66.83 -23.02 65.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 42.5 t80 -84.65 -63.78 1.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.525 ' CE2' HG12 ' A' ' 12' ' ' VAL . 5.9 m-85 -36.19 -38.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.977 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 71.7 m -60.26 -64.51 0.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 108.286 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -41.84 -37.68 1.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.3 m -62.94 -63.59 1.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 108.284 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.57 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 4.9 t80 -47.59 -32.84 5.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.83 -37.68 50.67 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.558 1.161 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -67.99 -23.72 65.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 0.735 . . . . 0.0 109.266 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.788 ' HB1' ' HB ' ' A' ' 80' ' ' ILE . . . -88.15 -45.38 10.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.633 HD13 HG21 ' A' ' 30' ' ' VAL . 6.0 mt -57.58 -25.21 59.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.09 28.06 19.08 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.446 1.091 . . . . 0.0 110.958 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.453 ' OG1' HG22 ' A' ' 28' ' ' VAL . 7.9 t -104.83 172.83 6.58 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.51 0.771 . . . . 0.0 110.385 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.595 HG22 ' O ' ' A' ' 27' ' ' THR . 18.2 m -113.84 19.18 16.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.385 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.453 HG22 ' OG1' ' A' ' 26' ' ' THR . 18.5 m -132.17 -175.98 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.247 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.426 ' HE3' ' O ' ' A' ' 14' ' ' ASP . 79.2 mtp -95.65 130.25 42.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 110.979 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.633 HG21 HD13 ' A' ' 24' ' ' LEU . 52.7 t -111.02 134.45 21.01 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 18.2 Cg_endo -74.99 107.88 2.59 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.546 1.814 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.724 HG11 ' CZ ' ' A' ' 55' ' ' PHE . 48.4 t -50.79 114.67 4.93 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.57 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -75.02 77.93 3.02 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.774 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.541 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 92.8 m-85 -56.81 -61.97 2.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 34' ' ' TYR . 1.8 tp10 -37.54 -34.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -77.98 -69.13 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.597 1.185 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 14.1 mmm -47.47 -48.65 26.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 110.962 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 38' ' ' LEU . 14.9 mt -49.66 -37.05 26.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.0 mtt180 -76.59 -49.37 16.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -137.3 117.76 13.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.578 1.174 . . . . 0.0 109.253 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -88.92 20.27 3.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.59 25.77 3.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.138 . . . . 0.0 109.959 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -113.76 -57.63 2.26 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.847 HG11 ' CD2' ' A' ' 78' ' ' PHE . 14.1 t -129.43 149.54 33.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.3 t -112.14 147.31 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.572 HG21 ' CB ' ' A' ' 55' ' ' PHE . 76.8 t -108.93 135.52 47.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.256 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -144.12 128.06 17.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.72 30.83 3.61 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.127 . . . . 0.0 111.008 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 49' ' ' LEU . 8.5 mt -101.29 164.93 15.04 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.474 0.75 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.504 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.4 Cg_endo -74.95 157.79 42.77 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.458 1.768 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -58.1 131.54 50.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.272 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 59.37 50.23 70.0 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.534 1.146 . . . . 0.0 111.033 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.504 HG11 ' HG2' ' A' ' 50' ' ' PRO . 92.4 t -147.76 127.61 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.444 0.732 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -95.52 175.25 6.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.724 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 31.1 t80 -87.9 14.61 8.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 111.049 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -48.17 161.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.283 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.414 ' ND1' ' HD2' ' A' ' 58' ' ' PRO . 1.7 t-80 -40.63 143.25 0.7 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.624 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.696 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -74.97 -27.57 9.96 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.496 1.787 . . . . 0.0 110.96 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -20.37 2.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.259 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 61' ' ' TYR . 48.8 m-80 -89.24 -48.72 7.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.696 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.8 m-30 -36.89 144.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.949 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 63' ' ' LEU . 6.6 m-20 -78.86 151.82 31.61 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.433 1.083 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 62' ' ' ASP . 3.7 tp -39.74 -41.31 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.097 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.2 -62.06 1.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.36 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 83.6 m -46.61 -50.01 18.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 110.375 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 46.1 mt -51.03 -57.26 9.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.472 ' HD2' HD22 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -62.94 -29.8 71.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.16 . . . . 0.0 109.269 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.414 ' O ' ' N ' ' A' ' 71' ' ' GLU . 64.6 t90 -66.28 -59.81 3.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 108.005 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.516 HD11 ' CE2' ' A' ' 61' ' ' TYR . 42.1 mt -41.62 -54.57 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 42.5 mt -59.0 -41.53 87.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 68' ' ' TRP . 0.1 OUTLIER -69.62 -11.35 60.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 110.261 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -143.84 46.32 1.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 9.7 pttp -86.4 -40.38 15.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.47 -27.65 4.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -83.93 -26.62 40.66 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.503 1.127 . . . . 0.0 110.962 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.479 HD12 HG23 ' A' ' 69' ' ' ILE . 57.9 mt -72.37 124.47 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 0.779 . . . . 0.0 109.308 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.7 m -140.5 138.27 34.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.959 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.847 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -94.4 102.44 14.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.425 ' N ' HD13 ' A' ' 79' ' ' ILE . 5.9 mm -80.27 87.69 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.788 ' HB ' ' HB1' ' A' ' 23' ' ' ALA . 0.3 OUTLIER -60.95 129.89 24.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.272 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -111.25 -43.22 3.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.233 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.76 156.41 5.01 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -174.93 2.12 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.469 1.773 . . . . 0.0 110.984 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.5 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 18.8 m-85 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.439 ' CD2' ' HG3' ' A' ' 67' ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 8' ' ' LEU . 5.1 mtm180 -38.67 -43.78 0.93 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -72.84 -52.46 14.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -43.33 -48.6 6.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.501 HG11 ' HB3' ' A' ' 58' ' ' PRO . 63.7 t -58.28 -40.85 79.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.475 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 2.6 mt-10 -69.17 -40.76 77.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.327 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -61.92 -29.96 70.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.517 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 44.2 t80 -75.39 -66.04 0.82 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.433 ' CD1' ' HE1' ' A' ' 55' ' ' PHE . 6.1 m-85 -36.03 -39.73 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 98.5 m -61.45 -57.95 10.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 108.315 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.437 ' N ' ' O ' ' A' ' 15' ' ' TYR . 1.9 t80 -47.76 -36.06 10.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 0.0 111.064 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.5 m -64.81 -64.57 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 108.263 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.581 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 4.9 t80 -46.99 -40.96 15.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.967 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.48 -40.42 94.33 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 110.989 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.8 mtpt -66.44 -25.08 66.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 0.776 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.58 -43.29 13.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.578 1.174 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.572 HD11 ' CD2' ' A' ' 20' ' ' TYR . 4.5 mt -62.27 -27.51 69.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.43 34.75 6.51 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.594 ' OG1' HG22 ' A' ' 28' ' ' VAL . 9.4 t -112.35 158.86 19.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 0.762 . . . . 0.0 110.397 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 28.8 p -100.53 17.53 21.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.372 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.594 HG22 ' OG1' ' A' ' 26' ' ' THR . 27.5 m -128.57 -173.48 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 6.1 mtm -99.12 130.93 45.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.514 HG21 HD13 ' A' ' 24' ' ' LEU . 25.9 t -109.42 133.11 20.93 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 18.4 Cg_endo -75.02 100.0 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.499 1.789 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.743 HG11 ' CZ ' ' A' ' 55' ' ' PHE . 55.7 t -44.41 116.0 2.45 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.581 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -74.93 80.94 2.3 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.511 1.795 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.501 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 96.8 m-85 -59.51 -62.37 1.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 34' ' ' TYR . 4.6 tt0 -37.32 -35.38 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.0 mttm -76.24 -69.43 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 18.9 mmm -47.05 -45.22 21.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 38' ' ' LEU . 14.0 mt -53.65 -40.0 65.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -73.71 -51.68 15.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -131.69 118.38 19.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -92.38 17.89 9.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.7 m -95.41 26.91 3.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.011 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -113.54 -63.7 1.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.912 HG11 ' CD2' ' A' ' 78' ' ' PHE . 7.2 t -123.73 143.46 36.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.8 t -106.66 145.89 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.564 HG21 ' CB ' ' A' ' 55' ' ' PHE . 70.9 t -107.85 135.18 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -143.18 127.55 17.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 110.337 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.4 27.97 4.24 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.11 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.417 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 8.4 mt -99.62 165.3 14.95 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.62 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.3 Cg_endo -75.02 175.09 11.7 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.519 1.8 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 1.028 ' O ' HG23 ' A' ' 53' ' ' VAL . 7.4 tt0 -66.51 146.06 54.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 110.31 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 40.28 45.98 3.34 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.462 1.101 . . . . 0.0 111.02 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 1.028 HG23 ' O ' ' A' ' 51' ' ' GLU . 88.2 t -136.47 132.55 48.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.765 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -102.33 177.68 4.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.743 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 37.7 t80 -89.58 14.46 11.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -48.7 162.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.447 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.7 t-80 -42.44 145.02 0.87 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.584 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.699 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -75.05 -29.12 8.49 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.482 1.78 . . . . 0.0 110.99 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.93 -20.92 1.49 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -88.6 -49.32 6.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.699 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.6 m-30 -37.66 140.77 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.422 ' C ' ' N ' ' A' ' 64' ' ' ALA . 2.1 m-20 -73.47 146.36 45.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.1 tp -39.91 -31.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.422 ' N ' ' C ' ' A' ' 62' ' ' ASP . . . -71.18 -56.57 5.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 51.6 m -52.88 -50.6 63.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.405 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 40.7 mt -47.46 -51.27 20.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.439 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -66.18 -34.12 77.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 57.5 t90 -62.58 -57.3 11.58 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.52 ' CD1' ' CE2' ' A' ' 61' ' ' TYR . 44.1 mt -44.61 -53.84 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.419 ' CD1' HD23 ' A' ' 8' ' ' LEU . 52.9 mt -59.66 -40.57 88.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.36 -12.25 61.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.339 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -142.68 45.39 1.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.517 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 11.5 pttp -84.18 -42.94 15.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.98 -25.34 4.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.02 -26.85 39.41 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.457 ' CD1' HG23 ' A' ' 69' ' ' ILE . 71.2 mt -72.89 124.33 29.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.5 p -138.56 139.52 38.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.002 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.912 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -95.36 102.42 14.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 111.007 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.417 ' N ' HD13 ' A' ' 79' ' ' ILE . 6.0 mm -80.94 88.87 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.533 ' CD1' HG22 ' A' ' 44' ' ' VAL . 0.4 OUTLIER -60.35 137.45 22.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -121.04 -49.67 2.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.17 155.81 15.98 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 178.61 7.03 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.494 1.786 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.472 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 53.5 m-85 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.455 ' CD2' ' HG3' ' A' ' 67' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.472 ' CD ' ' HA ' ' A' ' 59' ' ' GLU . 9.5 ttm180 -38.6 -43.59 0.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.293 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 11' ' ' ALA . 0.5 OUTLIER -69.53 -55.1 11.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 10' ' ' LYS . . . -39.76 -49.27 2.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.562 HG11 ' HB3' ' A' ' 58' ' ' PRO . 21.2 t -49.57 -56.61 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.247 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.466 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 3.3 mt-10 -53.39 -34.16 56.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.237 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.09 -16.32 61.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 1.002 ' OH ' HG21 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -91.44 -54.46 3.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.118 . . . . 0.0 111.015 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.599 ' N ' ' CG ' ' A' ' 15' ' ' TYR . 3.6 m-85 -45.85 -24.68 0.42 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 95.0 m -74.5 -57.64 3.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 108.304 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -40.11 -36.83 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.75 -67.0 0.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 108.322 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.663 ' O ' HD12 ' A' ' 24' ' ' LEU . 3.1 t80 -47.31 -36.32 9.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.524 ' O ' HG22 ' A' ' 26' ' ' THR . . . -71.88 -37.76 60.7 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -71.83 -26.19 62.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 0.752 . . . . 0.0 109.256 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.6 -46.77 12.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.787 HD13 HG21 ' A' ' 30' ' ' VAL . 4.1 mt -57.65 -20.12 31.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.71 29.05 40.39 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.443 1.089 . . . . 0.0 110.969 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.524 HG22 ' O ' ' A' ' 21' ' ' GLY . 2.4 t -100.12 177.78 4.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.777 . . . . 0.0 110.449 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.45 ' N ' ' OG1' ' A' ' 26' ' ' THR . 24.5 p -116.79 21.64 13.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.404 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.417 HG22 ' OG1' ' A' ' 26' ' ' THR . 12.3 m -137.88 -173.43 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.351 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 5.6 mtm -100.43 130.86 46.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 111.012 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.787 HG21 HD13 ' A' ' 24' ' ' LEU . 96.2 t -109.67 137.47 20.39 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.48 ' HD2' HG13 ' A' ' 30' ' ' VAL . 18.2 Cg_endo -74.96 104.6 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.776 HG11 ' CZ ' ' A' ' 55' ' ' PHE . 55.1 t -48.03 118.14 6.14 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.59 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -74.99 84.51 1.65 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.45 1.763 . . . . 0.0 111.035 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.415 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 96.2 m-85 -61.19 -62.8 1.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 111.001 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.54 -35.28 0.18 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.562 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 14.4 mttt -75.18 -67.68 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.47 ' HE3' ' HB ' ' A' ' 44' ' ' VAL . 92.6 mtp -48.31 -36.13 13.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.929 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.8 mt -70.53 -39.34 74.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -72.77 -51.64 18.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 110.305 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.68 113.88 17.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.355 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -90.1 17.29 7.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 110.269 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.6 m -104.88 23.81 12.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -109.02 -67.41 0.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.881 HG11 ' CD2' ' A' ' 78' ' ' PHE . 4.6 t -119.08 144.27 27.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.2 t -111.49 143.16 21.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.547 HG21 ' CB ' ' A' ' 55' ' ' PHE . 72.5 t -104.16 137.3 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -143.6 125.56 15.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.11 31.87 2.75 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.455 1.097 . . . . 0.0 111.024 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.42 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 9.6 mt -102.34 165.27 14.12 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 109.286 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.655 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.3 Cg_endo -75.05 170.05 21.26 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.539 1.81 . . . . 0.0 110.992 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.966 ' O ' HG23 ' A' ' 53' ' ' VAL . 2.8 tt0 -63.08 143.36 57.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.337 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 43.8 44.81 7.17 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.966 HG23 ' O ' ' A' ' 51' ' ' GLU . 80.0 t -136.71 133.51 48.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 0.755 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -103.42 -179.85 4.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.776 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 41.9 t80 -92.09 14.9 14.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.427 ' HG3' ' CE1' ' A' ' 61' ' ' TYR . 8.8 pt20 -48.52 174.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.456 ' ND1' ' OE1' ' A' ' 59' ' ' GLU . 1.7 t-80 -52.51 144.73 22.91 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.593 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.701 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -75.05 -26.86 10.44 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.523 1.801 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.472 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 9.0 pt-20 -53.28 -18.91 2.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.268 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -90.55 -50.33 6.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.107 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.701 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 21.7 m-30 -38.42 145.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 63' ' ' LEU . 3.2 m-20 -78.75 146.53 33.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 62' ' ' ASP . 10.3 tp -39.56 -34.24 0.22 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.24 -57.81 5.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 48.3 m -51.29 -51.53 53.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.395 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 33.8 mt -46.72 -51.68 15.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.455 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -65.96 -33.39 75.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.419 ' O ' ' N ' ' A' ' 72' ' ' ASN . 60.9 t90 -63.36 -59.52 4.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 107.976 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.476 ' O ' ' N ' ' A' ' 73' ' ' LYS . 37.1 mt -45.88 -51.11 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.414 HD12 HD23 ' A' ' 8' ' ' LEU . 86.5 mt -59.18 -42.01 89.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.34 -13.89 61.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.297 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 68' ' ' TRP . 8.5 m120 -134.76 41.07 2.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 69' ' ' ILE . 8.1 pttp -86.23 -29.67 22.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.98 -30.94 70.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -83.33 -21.7 58.1 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 1.002 HG21 ' OH ' ' A' ' 15' ' ' TYR . 65.3 mt -72.91 128.38 35.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.4 p -143.49 140.97 30.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.043 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.881 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -95.74 102.13 13.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.434 ' N ' HD13 ' A' ' 79' ' ' ILE . 5.8 mm -81.55 93.36 2.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.719 ' CD1' HG22 ' A' ' 44' ' ' VAL . 1.0 OUTLIER -66.52 147.17 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -127.57 -50.61 1.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.1 156.08 25.54 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.272 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 175.55 11.1 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.494 1.786 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.562 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 82.3 m-85 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.958 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.482 HD23 ' CD1' ' A' ' 70' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 8' ' ' LEU . 3.3 mtm180 -37.45 -50.72 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -65.46 -52.01 56.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -40.18 -48.05 2.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.544 HG12 ' CE2' ' A' ' 16' ' ' PHE . 74.4 t -60.69 -48.45 88.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.47 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 10.0 mm-40 -61.65 -26.07 67.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.68 -26.38 50.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 22.8 t80 -81.79 -60.51 2.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.544 ' CE2' HG12 ' A' ' 12' ' ' VAL . 4.7 m-85 -37.62 -36.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 111.019 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 99.6 m -66.83 -66.09 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 108.263 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -39.14 -35.35 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.2 m -67.16 -60.45 2.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 108.314 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.625 ' O ' HD12 ' A' ' 24' ' ' LEU . 3.8 t80 -49.49 -37.46 26.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 111.028 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.06 -39.16 84.47 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.89 -23.0 65.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 0.803 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.99 -49.87 7.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.625 HD12 ' O ' ' A' ' 20' ' ' TYR . 2.3 mt -57.66 -31.38 66.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.08 -6.95 43.63 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.665 HG21 ' CG2' ' A' ' 30' ' ' VAL . 1.3 t -66.0 159.93 24.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 110.4 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.51 HG22 ' O ' ' A' ' 27' ' ' THR . 18.7 m -103.06 10.67 37.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.383 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.5 m -126.83 178.83 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 37.7 mtp -82.2 140.02 33.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 111.043 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.665 ' CG2' HG21 ' A' ' 26' ' ' THR . 20.6 t -118.16 130.93 24.43 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 101.17 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.489 1.784 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.796 HG11 ' CZ ' ' A' ' 55' ' ' PHE . 52.7 t -44.77 118.51 3.48 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.57 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -75.0 71.57 4.95 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.499 1.789 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.504 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 96.6 m-85 -48.9 -64.62 0.75 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 34' ' ' TYR . 2.7 tt0 -38.05 -37.81 0.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.561 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 45.0 mttt -72.95 -69.29 0.42 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.571 ' HE3' ' CE2' ' A' ' 78' ' ' PHE . 83.2 mtp -45.64 -37.74 5.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 22.6 mt -65.47 -50.65 64.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.7 mtt-85 -60.87 -51.05 70.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -129.29 126.01 38.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -101.01 18.59 19.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.432 ' O ' ' NH1' ' A' ' 82' ' ' ARG . 62.9 m -101.25 17.97 21.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.029 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -103.89 -60.7 1.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.807 HG11 ' CD2' ' A' ' 78' ' ' PHE . 12.7 t -130.82 147.96 33.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.9 t -112.41 151.45 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.259 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.549 HG21 ' CB ' ' A' ' 55' ' ' PHE . 78.2 t -110.18 135.67 48.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -141.95 128.29 19.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.289 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.04 30.28 3.48 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.546 1.154 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 49' ' ' LEU . 7.7 mt -101.64 164.9 14.99 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.503 0.767 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.456 ' HG2' HG21 ' A' ' 53' ' ' VAL . 18.4 Cg_endo -74.99 160.45 40.17 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.537 1.809 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -60.68 131.43 50.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 60.67 50.28 69.28 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.456 HG21 ' HG2' ' A' ' 50' ' ' PRO . 88.3 t -148.43 136.4 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.474 0.749 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -104.98 174.53 5.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.796 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 43.4 t80 -85.92 15.38 4.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -51.86 163.86 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.447 ' ND1' ' OE2' ' A' ' 59' ' ' GLU . 1.7 t-80 -42.08 143.55 1.0 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.636 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.689 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.1 Cg_endo -75.04 -28.33 9.19 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.532 1.806 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.447 ' OE2' ' ND1' ' A' ' 57' ' ' HIS . 10.9 pt-20 -51.1 -20.39 1.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 61' ' ' TYR . 55.4 m-80 -89.91 -47.59 7.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.689 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.1 m-30 -37.33 146.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.432 ' C ' ' N ' ' A' ' 64' ' ' ALA . 1.5 m-20 -78.79 148.63 32.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.456 ' O ' HD13 ' A' ' 63' ' ' LEU . 2.1 tm? -40.64 -29.52 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.432 ' N ' ' C ' ' A' ' 62' ' ' ASP . . . -73.89 -62.35 1.53 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 53.0 m -46.8 -46.69 20.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.386 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 42.3 mt -51.25 -58.86 5.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.419 ' HD2' HD22 ' A' ' 8' ' ' LEU . 1.3 mptp? -61.77 -32.93 73.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.423 ' O ' ' N ' ' A' ' 72' ' ' ASN . 62.0 t90 -63.19 -59.19 5.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 107.982 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.564 ' CD1' ' CE2' ' A' ' 61' ' ' TYR . 39.7 mt -43.26 -53.44 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.482 ' CD1' HD23 ' A' ' 8' ' ' LEU . 55.1 mt -59.87 -40.43 88.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.67 -12.49 61.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.331 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 68' ' ' TRP . 9.5 m120 -140.88 44.91 1.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 11.0 pttp -83.99 -42.49 16.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.347 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.44 -25.67 6.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.18 -25.57 43.74 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.126 . . . . 0.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.457 ' CD1' HG23 ' A' ' 69' ' ' ILE . 66.4 mt -72.94 124.82 30.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 0.782 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.1 m -140.66 142.48 34.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.018 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.807 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -98.3 110.69 23.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 111.043 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.439 ' N ' HD13 ' A' ' 79' ' ' ILE . 5.6 mm -85.06 92.15 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.757 HD13 HG22 ' A' ' 44' ' ' VAL . 1.0 OUTLIER -65.9 140.3 19.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -124.8 -50.79 1.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.432 ' NH1' ' O ' ' A' ' 42' ' ' SER . 0.0 OUTLIER -163.49 156.36 15.92 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.264 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 174.7 12.33 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.444 1.76 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.561 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 53.7 m-85 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.474 ' CD2' ' HG3' ' A' ' 67' ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -38.4 -49.77 1.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 110.275 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 13' ' ' GLU . 40.6 tptt -69.6 -48.61 59.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -43.82 -46.06 7.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.474 HG11 ' HB3' ' A' ' 58' ' ' PRO . 51.3 t -63.13 -40.31 88.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.471 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 2.3 mt-10 -69.79 -31.76 69.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 10' ' ' LYS . 12.3 t0 -69.16 -23.84 63.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 44.0 t80 -83.26 -64.85 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.43 ' CD1' ' HE1' ' A' ' 55' ' ' PHE . 6.9 m-85 -36.46 -45.21 0.48 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 75.7 m -56.28 -62.35 1.77 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.096 . . . . 0.0 108.258 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -39.77 -48.23 2.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 22' ' ' LYS . 6.9 m -53.91 -69.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 108.267 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.592 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 5.0 t80 -40.41 -37.64 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.978 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.477 ' O ' HG22 ' A' ' 26' ' ' THR . . . -70.72 -43.07 60.65 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -66.03 -27.19 67.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 0.767 . . . . 0.0 109.267 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.36 -46.08 14.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.549 HD13 HG21 ' A' ' 30' ' ' VAL . 6.0 mt -57.81 -27.73 63.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.95 29.74 8.88 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.437 1.085 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.489 ' OG1' HG22 ' A' ' 28' ' ' VAL . 6.8 t -107.44 172.49 6.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 0.796 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 38.2 p -112.78 18.15 18.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 110.422 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.489 HG22 ' OG1' ' A' ' 26' ' ' THR . 17.4 m -129.93 -175.34 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 80.2 mtp -96.64 130.49 43.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.549 HG21 HD13 ' A' ' 24' ' ' LEU . 23.9 t -110.16 131.31 22.07 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 18.3 Cg_endo -75.03 105.94 2.18 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.516 1.798 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.68 HG11 ' CZ ' ' A' ' 55' ' ' PHE . 66.8 t -47.83 118.19 5.97 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 109.318 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.592 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -75.01 74.62 3.95 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.58 1.831 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.531 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 97.6 m-85 -53.97 -63.07 1.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -37.67 -31.58 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 110.308 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 34' ' ' TYR . 15.4 mttt -80.67 -68.87 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 15.9 mmm -48.66 -44.76 37.92 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 0.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 38' ' ' LEU . 15.1 mt -54.15 -36.7 63.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.4 mtt85 -77.15 -46.9 21.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.272 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -140.27 118.08 11.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -89.84 17.52 6.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 m -91.91 31.1 1.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 110.028 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -120.19 -62.49 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.907 HG11 ' CD2' ' A' ' 78' ' ' PHE . 12.9 t -124.72 143.36 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.6 t -106.62 151.18 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.58 HG21 ' CB ' ' A' ' 55' ' ' PHE . 72.7 t -112.36 137.21 46.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.258 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -145.51 127.24 15.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.128 . . . . 0.0 110.291 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.78 30.73 3.38 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.562 1.164 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.417 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 9.2 mt -101.82 165.09 14.59 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.469 0.747 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.516 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.3 Cg_endo -75.03 154.09 42.1 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.561 1.821 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.73 132.14 45.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 59.31 50.25 69.79 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.464 1.103 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.516 HG11 ' HG2' ' A' ' 50' ' ' PRO . 94.4 t -148.37 127.34 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 0.786 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -95.13 176.25 6.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.254 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.68 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 35.0 t80 -88.86 14.52 10.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 111.036 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -49.25 161.82 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.424 ' ND1' ' HD2' ' A' ' 58' ' ' PRO . 1.7 t-80 -40.71 144.05 0.64 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 109.585 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.698 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -75.05 -28.34 9.17 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.532 1.806 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.83 -21.09 1.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 -88.32 -47.61 8.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.698 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.7 m-30 -39.31 141.68 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.446 ' C ' ' N ' ' A' ' 64' ' ' ALA . 4.3 m-20 -74.05 145.69 44.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.8 tp -39.41 -30.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.446 ' N ' ' C ' ' A' ' 62' ' ' ASP . . . -71.09 -60.06 2.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 60.1 m -49.47 -51.03 38.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.399 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 39.4 mt -46.42 -52.71 12.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.282 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.474 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -66.56 -31.88 72.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 58.0 t90 -63.91 -58.58 6.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 108.005 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 73' ' ' LYS . 30.5 mt -44.12 -52.91 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 31.4 mt -60.46 -38.28 83.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.94 -10.01 59.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -147.27 46.33 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 11.1 pttp -84.56 -40.52 17.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.02 -27.7 5.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -82.87 -25.75 48.24 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.462 HD12 HG23 ' A' ' 69' ' ' ILE . 67.3 mt -72.86 123.69 28.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.773 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.9 p -138.03 142.3 40.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.968 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.907 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -98.55 104.18 16.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.165 . . . . 0.0 110.998 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.464 ' N ' HD13 ' A' ' 79' ' ' ILE . 5.2 mm -80.66 88.34 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.536 ' CD1' HG22 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -63.35 122.93 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 22.3 m-20 -105.44 -42.62 5.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.29 156.19 4.44 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -179.75 5.29 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.479 1.778 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.56 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 57.1 m-85 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 110.958 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.91 88.61 2.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 0.766 . . . . 0.0 110.009 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -107.2 164.48 12.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 110.009 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.74 101.15 0.15 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.493 1.121 . . . . 0.0 111.021 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.22 -57.23 0.76 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 0.763 . . . . 0.0 110.001 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.4 p -78.51 157.36 28.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.959 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.42 158.3 27.99 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.461 ' CD2' ' HG3' ' A' ' 67' ' ' LYS . 0.5 OUTLIER -96.03 -65.3 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 0.744 . . . . 0.0 109.324 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 8' ' ' LEU . 12.2 ttp180 -37.87 -54.24 1.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -58.58 -51.42 69.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.355 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -44.9 -49.58 10.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.512 HG12 ' CE2' ' A' ' 16' ' ' PHE . 63.0 t -56.69 -40.74 71.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 0.0 109.256 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.478 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 3.3 mt-10 -70.17 -50.31 41.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -54.24 -28.34 40.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 24.7 t80 -78.42 -63.64 1.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.512 ' CE2' HG12 ' A' ' 12' ' ' VAL . 4.0 m-85 -36.26 -38.33 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 70.8 m -64.69 -61.93 1.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 108.312 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -40.26 -33.51 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.979 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.8 m -67.42 -63.35 1.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 108.324 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.586 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 4.7 t80 -48.37 -40.71 26.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.529 ' O ' HG22 ' A' ' 26' ' ' THR . . . -67.51 -33.84 82.63 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.485 1.115 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -75.86 -26.41 57.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.781 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.81 -44.14 17.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.781 HD13 HG21 ' A' ' 30' ' ' VAL . 4.0 mt -57.86 -33.58 68.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.26 21.42 10.81 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.529 HG22 ' O ' ' A' ' 21' ' ' GLY . 10.0 t -98.83 176.4 5.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 0.0 110.375 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 m -116.16 19.91 14.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.395 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.0 m -132.42 -172.52 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 67.9 mtp -100.6 135.72 41.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.781 HG21 HD13 ' A' ' 24' ' ' LEU . 87.1 t -113.55 141.03 25.26 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.593 ' HD2' HG13 ' A' ' 30' ' ' VAL . 18.1 Cg_endo -75.02 95.31 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.505 1.792 . . . . 0.0 110.982 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.653 HG11 ' HZ ' ' A' ' 55' ' ' PHE . 44.1 t -40.46 114.27 1.05 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.586 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -75.03 80.65 2.39 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.458 1.768 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.496 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 94.6 m-85 -57.94 -64.51 0.88 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.148 . . . . 0.0 110.994 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -38.22 -38.33 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 110.332 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.559 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 61.4 mttt -69.02 -67.11 0.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.577 ' CE ' ' CZ ' ' A' ' 78' ' ' PHE . 81.0 mtp -50.91 -47.09 60.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 26.4 mt -55.36 -53.13 60.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -57.64 -53.55 56.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.277 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -134.88 127.28 30.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -95.15 17.84 13.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.22 32.27 1.76 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.961 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -129.48 -53.99 1.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.804 HG11 ' CD2' ' A' ' 78' ' ' PHE . 6.4 t -132.72 140.54 47.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.2 t -110.0 150.92 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.25 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.518 HG21 ' CB ' ' A' ' 55' ' ' PHE . 78.5 t -112.68 135.39 52.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -144.29 126.58 15.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.19 33.97 2.24 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.553 1.158 . . . . 0.0 111.022 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.415 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 8.4 mt -105.34 164.22 15.52 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.469 0.747 . . . . 0.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.548 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.2 Cg_endo -75.02 154.55 42.46 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.498 1.788 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -54.08 131.89 41.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 58.53 50.46 66.74 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.449 1.093 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.548 HG11 ' HG2' ' A' ' 50' ' ' PRO . 89.7 t -148.64 125.33 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 0.777 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -93.43 175.04 6.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.26 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.653 ' HZ ' HG11 ' A' ' 32' ' ' VAL . 37.7 t80 -86.01 14.1 6.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -47.68 162.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.27 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.434 ' CE1' ' OE2' ' A' ' 13' ' ' GLU . 1.7 t-80 -42.0 144.15 0.9 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.61 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.699 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -75.04 -31.14 6.39 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.522 1.801 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.7 -23.93 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.345 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -85.15 -48.7 8.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.699 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.3 m-30 -39.19 135.2 1.01 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.434 ' C ' ' N ' ' A' ' 64' ' ' ALA . 1.6 m-20 -70.0 146.89 50.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.6 tp -39.97 -30.36 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.261 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.434 ' N ' ' C ' ' A' ' 62' ' ' ASP . . . -72.52 -57.0 4.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 78.1 m -53.13 -50.61 64.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 110.381 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 46.8 mt -47.26 -49.16 24.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.461 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -68.47 -30.9 69.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 51.9 t90 -64.43 -56.38 14.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 107.974 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.733 HG23 ' CD1' ' A' ' 76' ' ' ILE . 43.0 mt -48.77 -45.74 15.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.447 ' CD1' HD23 ' A' ' 8' ' ' LEU . 61.5 mt -66.14 -39.42 89.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.88 -10.62 60.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 110.271 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -141.89 40.4 1.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 11.0 pttp -81.04 -35.27 32.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.581 1.175 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.75 -19.1 9.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -92.84 -24.21 23.6 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.538 1.149 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.733 ' CD1' HG23 ' A' ' 69' ' ' ILE . 41.9 mt -72.3 121.5 22.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 m -141.32 135.3 30.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 110.04 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.804 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -90.05 105.05 17.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.451 ' N ' HD13 ' A' ' 79' ' ' ILE . 5.1 mm -82.57 92.97 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.721 ' CD1' HG22 ' A' ' 44' ' ' VAL . 1.0 OUTLIER -69.82 142.78 15.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -123.99 -44.0 2.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.61 157.24 10.81 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 110.266 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 177.98 7.87 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.499 1.789 . . . . 0.0 110.95 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 44.9 m-85 -95.47 165.35 12.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -121.89 155.15 36.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 131.36 168.12 12.09 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.538 1.148 . . . . 0.0 110.961 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 109.5 2.94 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.475 1.776 . . . . 0.0 111.039 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -172.66 124.65 0.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.32 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 40.0 m -128.91 -63.72 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.004 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.75 112.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.6 tp -74.7 157.07 35.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -93.01 89.16 1.32 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.477 1.111 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 167.13 137.61 2.26 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.75 143.56 47.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 0.0 110.031 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -154.58 148.01 17.92 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.502 1.126 . . . . 0.0 110.963 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 110.81 3.19 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.483 1.78 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.2 m -85.11 108.04 17.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.011 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 93.7 p -91.42 114.73 27.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.03 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 -179.979 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.4 p -114.88 128.13 56.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 0.759 . . . . 0.0 110.036 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.0 139.37 42.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.95 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.93 -168.88 14.58 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.53 1.143 . . . . 0.0 111.015 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.4 m -131.33 130.62 42.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.988 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.08 118.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.043 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.22 161.66 19.68 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.38 -63.84 1.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 0.748 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.8 mtm180 -41.92 -47.96 4.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.283 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -56.4 -51.77 67.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -47.69 -44.39 27.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.535 HG12 ' CE2' ' A' ' 16' ' ' PHE . 53.8 t -66.39 -41.63 89.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.463 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 3.9 mm-40 -65.95 -36.2 82.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.92 -24.34 66.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.559 ' CE2' ' HB2' ' A' ' 73' ' ' LYS . 70.8 t80 -84.26 -63.85 1.27 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.535 ' CE2' HG12 ' A' ' 12' ' ' VAL . 3.9 m-85 -36.01 -33.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.962 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 15' ' ' TYR . 76.4 m -69.64 -59.41 2.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 108.317 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.431 ' N ' ' O ' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -43.13 -35.19 1.26 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.949 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.5 m -64.63 -66.42 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 108.291 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.584 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 3.7 t80 -46.8 -35.33 6.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.37 -38.04 58.59 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.535 1.147 . . . . 0.0 111.047 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.4 mttt -70.28 -24.56 63.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.86 -45.24 12.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.639 HD13 HG21 ' A' ' 30' ' ' VAL . 4.9 mt -60.12 -26.4 66.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.565 1.166 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.21 32.35 8.95 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.547 1.154 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.54 ' OG1' HG22 ' A' ' 28' ' ' VAL . 15.1 t -110.12 153.51 24.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 110.369 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.6 m -94.82 23.23 5.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.413 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.54 HG22 ' OG1' ' A' ' 26' ' ' THR . 14.6 m -133.97 -173.79 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 76.3 mtp -99.94 131.75 45.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.975 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.639 HG21 HD13 ' A' ' 24' ' ' LEU . 53.4 t -109.48 136.05 20.27 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 18.3 Cg_endo -74.98 101.61 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.499 1.789 . . . . 0.0 110.994 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.843 HG11 ' HZ ' ' A' ' 55' ' ' PHE . 48.2 t -48.41 115.71 4.46 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.584 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.4 Cg_endo -74.96 83.09 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.504 1.792 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.421 ' O ' ' C ' ' A' ' 35' ' ' GLU . 76.9 m-85 -58.44 -66.58 0.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -36.99 -41.1 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 110.349 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.567 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 26.9 mttt -64.78 -68.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.44 ' HE3' ' HB ' ' A' ' 44' ' ' VAL . 66.2 mtp -50.16 -46.14 53.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.9 mt -55.03 -38.92 68.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.4 mtt-85 -75.05 -52.47 10.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.316 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -127.98 118.91 24.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -93.87 19.01 9.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.65 25.9 7.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.988 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -114.88 -67.18 1.01 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.869 HG11 ' CD2' ' A' ' 78' ' ' PHE . 10.8 t -121.21 144.11 31.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.7 t -108.94 151.98 11.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.537 HG21 ' CB ' ' A' ' 55' ' ' PHE . 73.5 t -111.94 137.03 46.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -144.11 128.45 17.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.74 30.8 3.37 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.471 1.107 . . . . 0.0 110.956 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 49' ' ' LEU . 7.6 mt -102.59 165.08 14.38 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 109.333 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.584 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.4 Cg_endo -75.03 176.66 9.63 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.528 1.804 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 1.021 ' O ' HG23 ' A' ' 53' ' ' VAL . 3.0 tt0 -67.34 145.63 54.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 40.24 47.74 3.57 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.547 1.154 . . . . 0.0 110.958 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 1.021 HG23 ' O ' ' A' ' 51' ' ' GLU . 85.8 t -136.73 139.72 44.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -106.85 -179.55 3.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.843 ' HZ ' HG11 ' A' ' 32' ' ' VAL . 37.3 t80 -92.59 16.17 12.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.958 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.489 ' HG3' ' CE1' ' A' ' 61' ' ' TYR . 16.4 pt20 -47.08 173.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.531 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.5 t-80 -55.12 147.4 35.07 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.578 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.707 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -75.01 -32.44 5.36 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.473 1.775 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.88 -22.32 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -87.6 -51.9 5.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.707 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 22.1 m-30 -37.52 140.73 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -77.2 153.79 33.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.1 tp -39.34 -50.96 2.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.35 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 68' ' ' TRP . . . -54.2 -59.96 3.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 66.3 m -50.48 -54.97 18.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.37 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.41 ' CD2' ' HB2' ' A' ' 61' ' ' TYR . 63.9 mt -49.43 -50.07 42.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -28.71 68.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.446 ' N ' ' O ' ' A' ' 64' ' ' ALA . 70.2 t90 -67.69 -61.19 2.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 108.024 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.755 HG23 ' CD1' ' A' ' 76' ' ' ILE . 61.8 mt -42.61 -49.0 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 87.5 mt -62.8 -42.45 99.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 68' ' ' TRP . 0.1 OUTLIER -67.17 -16.32 64.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 110.317 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -138.7 44.77 2.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.559 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . 1.8 ptmm? -79.75 -42.73 23.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.1 -23.81 3.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.303 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.5 -25.52 42.6 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.755 ' CD1' HG23 ' A' ' 69' ' ' ILE . 38.4 mt -72.48 125.02 30.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.2 p -143.09 140.57 30.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.984 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.869 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -97.18 110.19 22.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 110.989 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.443 ' N ' HD13 ' A' ' 79' ' ' ILE . 5.4 mm -85.33 91.03 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.54 ' CD1' HG22 ' A' ' 44' ' ' VAL . 0.4 OUTLIER -66.98 140.41 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -125.62 -47.03 1.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.241 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.9 ptt180 -166.4 156.18 10.56 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.326 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -177.33 3.39 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.517 1.798 . . . . 0.0 111.009 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.567 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 42.8 m-85 -97.98 165.93 11.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.85 68.74 10.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 54.12 171.18 0.05 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -50.06 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.537 1.809 . . . . 0.0 111.044 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.45 153.69 47.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.246 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.06 96.68 5.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.978 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -179.03 97.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.3 mp -151.42 146.99 26.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -79.12 -74.15 1.08 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.467 1.105 . . . . 0.0 110.981 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 146.25 -93.7 0.16 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.34 115.01 5.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 0.775 . . . . 0.0 110.007 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -147.08 73.95 0.3 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.536 1.147 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 144.1 29.75 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.538 1.809 . . . . 0.0 111.017 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 59.4 p -119.58 106.56 12.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.012 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.33 -58.47 2.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.004 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.46 1.1 . . . . 0.0 111.032 -179.979 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.75 125.64 45.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 0.78 . . . . 0.0 110.021 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.7 p -136.56 133.26 36.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.99 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.41 177.5 20.33 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.122 . . . . 0.0 110.951 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.8 t -168.02 -59.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 0.782 . . . . 0.0 110.01 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.2 p -53.3 165.19 0.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.025 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.18 132.09 6.75 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.491 1.12 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.407 HD23 ' CD1' ' A' ' 70' ' ' LEU . 0.4 OUTLIER -70.04 -50.8 37.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.761 . . . . 0.0 109.283 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.483 ' CD ' ' HA ' ' A' ' 59' ' ' GLU . 2.4 mtm105 -44.99 -41.36 7.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 13' ' ' GLU . 4.0 mmmt -74.88 -51.64 13.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -40.37 -40.77 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.528 HG12 ' CE2' ' A' ' 16' ' ' PHE . 69.1 t -68.24 -50.03 61.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.237 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.467 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 1.8 mm-40 -61.19 -28.23 68.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 110.29 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -71.77 -30.13 65.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.52 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 60.2 t80 -79.22 -62.19 1.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.974 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.528 ' CE2' HG12 ' A' ' 12' ' ' VAL . 5.1 m-85 -36.14 -41.93 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.105 . . . . 0.0 110.982 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 75.8 m -61.47 -58.26 8.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 108.339 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.412 ' N ' ' O ' ' A' ' 15' ' ' TYR . 5.9 t80 -45.75 -41.39 10.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 13.2 m -59.2 -64.21 1.02 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 108.271 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.565 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 4.0 t80 -50.19 -40.72 47.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.53 ' O ' HG22 ' A' ' 26' ' ' THR . . . -67.63 -36.44 87.9 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.535 1.147 . . . . 0.0 110.955 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -72.89 -25.97 61.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 0.751 . . . . 0.0 109.268 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.59 -45.45 14.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.527 HD11 ' CD2' ' A' ' 20' ' ' TYR . 4.6 mt -58.7 -25.36 62.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.84 29.19 12.13 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.53 HG22 ' O ' ' A' ' 21' ' ' GLY . 14.8 t -105.87 152.93 22.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 0.779 . . . . 0.0 110.374 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.1 m -94.26 23.77 4.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 110.381 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.474 HG22 ' OG1' ' A' ' 26' ' ' THR . 18.5 m -138.74 -177.02 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 65.5 mtp -94.25 135.52 35.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.082 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.527 HG21 HD13 ' A' ' 24' ' ' LEU . 48.2 t -113.72 137.99 22.48 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.403 ' HD2' HG13 ' A' ' 30' ' ' VAL . 18.4 Cg_endo -74.97 105.7 2.13 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.496 1.788 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.777 HG11 ' HZ ' ' A' ' 55' ' ' PHE . 52.6 t -52.56 116.18 8.35 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.565 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -75.03 81.24 2.26 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.443 1.76 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 35' ' ' GLU . 73.6 m-85 -59.03 -64.57 0.89 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.15 . . . . 0.0 111.027 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 34' ' ' TYR . 3.6 tt0 -38.28 -37.32 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.568 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 10.3 mtpt -68.82 -69.17 0.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.449 ' CE ' ' CZ ' ' A' ' 78' ' ' PHE . 66.4 mtp -49.95 -37.64 32.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.1 mt -63.66 -49.02 74.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.0 mtt180 -64.33 -49.81 70.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.357 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -132.43 122.7 25.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -95.4 19.52 10.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.357 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.4 32.4 3.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 110.027 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -120.9 -57.54 1.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.728 HG22 HD13 ' A' ' 80' ' ' ILE . 14.2 t -132.93 149.17 31.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.251 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.4 t -113.0 147.23 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.561 HG21 ' CB ' ' A' ' 55' ' ' PHE . 61.6 t -106.54 137.12 38.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.35 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -143.63 129.05 18.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.28 30.9 3.7 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.507 1.129 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.421 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 7.6 mt -103.24 165.26 13.9 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.772 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.683 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.4 Cg_endo -75.0 172.45 16.34 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.512 1.796 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 1.023 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -62.96 145.43 55.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 39.1 47.45 2.57 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 1.023 HG23 ' O ' ' A' ' 51' ' ' GLU . 95.5 t -136.78 129.22 44.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.548 0.793 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -98.38 176.96 5.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.777 ' HZ ' HG11 ' A' ' 32' ' ' VAL . 42.8 t80 -89.41 14.5 11.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.951 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' HIS . 14.6 pt20 -49.74 162.16 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 110.305 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 56' ' ' GLN . 1.7 t-80 -40.11 142.87 0.66 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.596 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.697 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -75.02 -29.05 8.59 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.501 1.79 . . . . 0.0 110.972 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.483 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -49.02 -22.19 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.332 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 61' ' ' TYR . 54.4 m-80 -86.99 -49.39 7.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.697 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.5 m-30 -37.33 148.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 63' ' ' LEU . 0.8 OUTLIER -83.69 149.36 26.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.833 HD12 ' HE2' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -39.95 -41.29 1.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.35 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.19 -53.19 53.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 62' ' ' ASP . 80.8 m -55.19 -50.35 69.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.418 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 57.7 mt -52.18 -50.93 60.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.833 ' HE2' HD12 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -64.26 -30.75 71.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.574 1.171 . . . . 0.0 109.311 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.448 ' O ' ' N ' ' A' ' 71' ' ' GLU . 73.7 t90 -66.35 -62.95 1.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 108.001 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.782 HG23 ' CD1' ' A' ' 76' ' ' ILE . 46.2 mt -41.57 -49.16 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.407 ' CD1' HD23 ' A' ' 8' ' ' LEU . 87.7 mt -62.51 -42.57 99.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 68' ' ' TRP . 0.7 OUTLIER -68.69 -15.94 63.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 68' ' ' TRP . 9.3 m120 -138.0 46.67 2.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 0.8 OUTLIER -82.03 -42.19 19.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.83 -23.84 3.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.82 -25.91 39.89 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.782 ' CD1' HG23 ' A' ' 69' ' ' ILE . 38.0 mt -72.19 125.16 30.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 0.751 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 m -143.6 137.02 28.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.971 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.59 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -92.73 106.55 18.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 111.013 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.408 ' N ' HD13 ' A' ' 79' ' ' ILE . 6.2 mm -85.05 88.93 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.728 HD13 HG22 ' A' ' 44' ' ' VAL . 2.9 mm -58.53 152.66 3.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -136.14 -47.31 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -166.48 155.96 10.3 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 174.55 12.6 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.485 1.781 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 59.2 m-85 -93.34 166.29 12.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 110.978 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.79 164.58 24.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 102.82 172.32 26.58 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -53.39 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.492 1.785 . . . . 0.0 111.02 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 56.13 89.65 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 110.335 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.29 85.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.002 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 19.5 mp0 -90.59 149.3 22.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.3 tp -139.0 79.72 1.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 111.24 -145.68 17.64 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 146.29 123.69 1.53 Allowed Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.6 t -165.34 138.98 4.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 0.778 . . . . 0.0 110.017 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 174.89 108.71 0.22 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 150.15 37.61 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.452 1.764 . . . . 0.0 110.945 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 37.0 t -174.6 147.38 1.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.967 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.3 m -166.89 106.86 0.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.994 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.467 1.105 . . . . 0.0 110.993 -179.971 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.9 t 40.11 82.45 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.543 0.79 . . . . 0.0 110.031 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m 58.09 167.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.975 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.19 -165.16 11.85 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 m 64.78 164.53 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 0.761 . . . . 0.0 110.034 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -151.21 157.3 42.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 110.018 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.42 ' O ' ' HB2' ' A' ' 11' ' ' ALA . . . -153.21 -163.58 11.86 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.532 1.145 . . . . 0.0 110.959 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.462 HD23 HD12 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -86.46 -63.29 1.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 0.788 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.48 ' HB2' ' CZ ' ' A' ' 9' ' ' ARG . 1.2 ttm105 -40.81 -39.12 1.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -76.35 -51.43 11.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 7' ' ' GLY . . . -42.84 -52.24 5.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.498 HG12 ' CE2' ' A' ' 16' ' ' PHE . 72.7 t -53.76 -40.42 43.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.46 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 1.8 mm-40 -71.78 -35.27 69.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.156 . . . . 0.0 110.337 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.33 -16.04 63.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 67.0 t80 -92.31 -63.91 1.18 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 111.043 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.498 ' CE2' HG12 ' A' ' 12' ' ' VAL . 5.6 m-85 -35.86 -34.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.433 ' N ' ' O ' ' A' ' 15' ' ' TYR . 83.3 m -67.29 -61.58 1.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 108.318 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -41.18 -39.51 1.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.8 m -59.54 -64.58 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 108.276 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.589 ' O ' HD12 ' A' ' 24' ' ' LEU . 4.8 t80 -47.89 -35.76 11.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 111.016 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.482 ' O ' HG22 ' A' ' 26' ' ' THR . . . -72.33 -33.66 61.42 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.2 mtpt -76.29 -26.04 55.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.759 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.425 ' HB1' ' HB ' ' A' ' 80' ' ' ILE . . . -82.65 -45.29 14.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.589 HD12 ' O ' ' A' ' 20' ' ' TYR . 5.3 mt -57.52 -28.7 63.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.92 -5.4 39.61 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.482 HG22 ' O ' ' A' ' 21' ' ' GLY . 9.5 t -74.7 178.8 5.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 0.79 . . . . 0.0 110.392 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 39.2 m -123.11 19.24 9.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.36 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.425 HG22 ' OG1' ' A' ' 26' ' ' THR . 30.1 m -125.7 -175.4 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 0.0 109.254 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 68.1 mtp -94.75 122.83 37.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.947 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.548 HG21 HD13 ' A' ' 24' ' ' LEU . 43.5 t -105.41 136.91 19.16 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 18.4 Cg_endo -74.96 103.02 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.483 1.781 . . . . 0.0 110.992 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.819 HG11 ' CZ ' ' A' ' 55' ' ' PHE . 44.8 t -49.05 118.08 7.16 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.582 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -75.01 78.51 2.88 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.495 1.787 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.471 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 97.4 m-85 -54.01 -64.52 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 111.051 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -37.92 -40.93 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.341 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.547 ' HB3' ' CD2' ' A' ' 84' ' ' PHE . 14.6 mttm -68.22 -69.12 0.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.52 ' CE ' ' CZ ' ' A' ' 78' ' ' PHE . 65.1 mtp -46.55 -44.54 18.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.1 mt -58.1 -49.25 77.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.265 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.1 mtt180 -64.37 -53.54 47.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -131.42 125.26 32.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -96.49 15.91 20.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 81.2 p -92.77 25.54 3.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.996 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -114.89 -60.02 1.94 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.857 HG11 ' CD2' ' A' ' 78' ' ' PHE . 12.0 t -133.02 149.11 31.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.2 t -113.79 153.63 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.519 HG21 ' CB ' ' A' ' 55' ' ' PHE . 78.3 t -113.03 136.19 50.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -144.38 124.59 13.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.263 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.69 30.47 2.59 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.123 . . . . 0.0 110.995 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 49' ' ' LEU . 7.6 mt -100.89 165.03 14.98 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.528 0.781 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.421 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.5 Cg_endo -74.96 156.34 43.14 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.521 1.8 . . . . 0.0 111.02 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.63 130.07 45.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.288 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 63.71 49.45 68.62 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.542 1.151 . . . . 0.0 110.971 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.421 HG11 ' HG2' ' A' ' 50' ' ' PRO . 95.0 t -149.8 137.37 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -104.41 176.69 5.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.819 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 32.4 t80 -88.38 13.81 10.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -48.28 173.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.253 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.445 ' ND1' ' OE2' ' A' ' 59' ' ' GLU . 1.7 t-80 -51.06 142.78 17.3 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.616 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.69 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.97 -29.54 8.17 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.526 1.803 . . . . 0.0 111.045 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.445 ' OE2' ' ND1' ' A' ' 57' ' ' HIS . 11.8 pt-20 -48.44 -22.64 0.75 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 61' ' ' TYR . 42.1 m-80 -87.97 -48.99 7.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.69 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.4 m-30 -36.81 141.8 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 111.027 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.58 149.43 36.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.611 HD12 ' NZ ' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -40.49 -40.34 1.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.2 -53.34 50.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 99.5 m -55.57 -51.28 67.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.429 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 45.6 mt -50.19 -49.96 50.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.081 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.611 ' NZ ' HD12 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -66.19 -35.7 81.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.279 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.454 ' O ' ' N ' ' A' ' 72' ' ' ASN . 63.0 t90 -62.3 -57.89 9.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 108.007 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.482 ' CD1' ' CD2' ' A' ' 61' ' ' TYR . 50.5 mt -43.28 -54.08 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.462 HD12 HD23 ' A' ' 8' ' ' LEU . 73.4 mt -60.33 -39.21 86.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.61 -10.68 59.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 68' ' ' TRP . 8.3 m120 -140.89 42.25 1.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 0.4 OUTLIER -83.29 -36.65 24.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.45 -28.45 30.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -83.44 -26.55 42.78 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.131 . . . . 0.0 110.952 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.472 ' CD1' HG23 ' A' ' 69' ' ' ILE . 66.6 mt -72.33 119.61 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 0.748 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 m -138.06 135.74 36.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.997 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.857 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -92.07 108.25 19.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.559 1.162 . . . . 0.0 111.04 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.516 ' N ' HD13 ' A' ' 79' ' ' ILE . 4.4 mm -81.83 90.46 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.449 HD13 HG22 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -68.06 139.98 19.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -126.21 -44.4 1.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.268 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -168.11 156.69 8.3 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.333 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -178.23 4.02 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.507 1.793 . . . . 0.0 111.028 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.547 ' CD2' ' HB3' ' A' ' 36' ' ' LYS . 47.3 m-85 -98.97 148.43 23.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.65 110.47 8.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 139.23 156.38 6.95 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 132.71 15.79 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.458 1.768 . . . . 0.0 111.053 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.6 -55.19 3.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.331 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 30.9 t 61.28 171.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.017 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -69.68 -73.05 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.276 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 69.8 111.44 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 95.69 -94.03 1.64 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.481 1.113 . . . . 0.0 111.029 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 146.67 102.4 0.32 Allowed Glycine 0 CA--C 1.531 1.056 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 m -62.44 159.78 14.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 0.773 . . . . 0.0 110.024 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -157.04 -161.69 10.98 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.444 1.09 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 137.98 22.5 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.513 1.796 . . . . 0.0 110.979 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.92 114.94 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.963 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -159.83 152.06 20.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.035 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.501 1.125 . . . . 0.0 111.014 -179.986 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.06 -58.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 0.749 . . . . 0.0 110.024 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.8 m -69.38 158.3 35.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.998 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.93 -126.48 1.83 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.454 1.096 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t -159.81 133.84 7.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 0.0 110.025 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.0 t -172.82 143.93 1.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.041 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.45 150.66 19.45 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 9' ' ' ARG . 0.5 OUTLIER -67.1 -65.71 0.65 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 0.754 . . . . 0.0 109.336 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.473 ' HD2' ' CB ' ' A' ' 59' ' ' GLU . 18.4 ttp180 -38.44 -50.36 1.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 13' ' ' GLU . 2.7 tmtm? -58.02 -56.77 17.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -41.17 -50.81 3.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.495 HG12 ' CE2' ' A' ' 16' ' ' PHE . 75.4 t -56.89 -43.95 81.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.47 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 2.2 mt-10 -66.21 -35.9 81.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.459 ' O ' ' HE3' ' A' ' 29' ' ' MET . 9.0 t0 -71.66 -25.8 62.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 40.2 t80 -79.15 -64.23 1.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.495 ' CE2' HG12 ' A' ' 12' ' ' VAL . 4.7 m-85 -36.78 -34.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 99.8 m -65.31 -66.04 0.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 108.296 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -37.74 -38.28 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.3 m -61.26 -61.93 2.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 108.297 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.587 ' CD2' HD11 ' A' ' 24' ' ' LEU . 3.4 t80 -51.25 -43.95 61.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.98 -36.05 92.78 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.7 mttt -73.0 -25.78 61.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 0.765 . . . . 0.0 109.292 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.09 -40.49 15.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.811 HD13 HG21 ' A' ' 30' ' ' VAL . 11.6 mt -58.11 -33.77 69.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.27 21.29 10.92 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.447 1.092 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.424 ' OG1' HG22 ' A' ' 28' ' ' VAL . 8.7 t -103.1 -178.47 3.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.757 . . . . 0.0 110.438 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.2 p -120.66 19.47 11.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.425 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.424 HG22 ' OG1' ' A' ' 26' ' ' THR . 15.8 m -129.56 -175.36 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.459 ' HE3' ' O ' ' A' ' 14' ' ' ASP . 88.7 mtp -98.34 132.02 44.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.811 HG21 HD13 ' A' ' 24' ' ' LEU . 93.9 t -111.35 140.16 22.7 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.571 ' HD2' HG13 ' A' ' 30' ' ' VAL . 18.1 Cg_endo -75.01 96.39 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.516 1.798 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.77 HG11 ' HZ ' ' A' ' 55' ' ' PHE . 48.1 t -41.79 115.18 1.42 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.586 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -74.94 87.27 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.453 1.765 . . . . 0.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.437 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 96.0 m-85 -63.18 -66.91 0.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 111.043 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 34' ' ' TYR . 4.6 tt0 -35.35 -43.82 0.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.564 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 37.3 mttt -63.04 -69.44 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.433 ' HE3' ' CE2' ' A' ' 78' ' ' PHE . 78.5 mtp -48.65 -37.24 17.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.5 mt -64.9 -42.33 94.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.359 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -70.06 -50.15 43.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 110.33 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -135.16 118.7 16.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -91.51 18.08 7.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.95 24.69 5.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.997 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -114.41 -55.86 2.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.862 HG11 ' CD2' ' A' ' 78' ' ' PHE . 6.1 t -132.94 150.02 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.7 t -117.03 148.45 19.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.528 HG21 ' CB ' ' A' ' 55' ' ' PHE . 74.5 t -107.62 138.25 34.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -145.63 127.86 15.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.9 29.98 3.62 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.558 1.161 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.424 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 8.7 mt -101.4 165.29 14.36 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.752 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.627 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.3 Cg_endo -74.99 173.15 15.0 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 0.0 111.015 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 1.005 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -65.44 145.22 56.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.307 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 41.8 45.77 4.77 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.513 1.133 . . . . 0.0 110.931 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 1.005 HG23 ' O ' ' A' ' 51' ' ' GLU . 93.8 t -136.73 135.77 48.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 0.757 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -104.44 178.53 4.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.77 ' HZ ' HG11 ' A' ' 32' ' ' VAL . 38.6 t80 -90.23 15.26 10.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.497 ' HG3' ' CE1' ' A' ' 61' ' ' TYR . 11.5 pt20 -47.4 170.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.514 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.6 t-80 -50.93 146.85 9.69 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.641 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.692 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -75.01 -30.87 6.69 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.539 1.81 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.473 ' CB ' ' HD2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -50.14 -21.4 1.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -88.09 -51.19 5.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.255 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.692 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 22.0 m-30 -37.46 140.56 0.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.968 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 65' ' ' THR . 0.4 OUTLIER -74.14 146.97 43.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 62' ' ' ASP . 5.9 tp -39.63 -35.14 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.63 -53.49 22.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 62' ' ' ASP . 37.8 m -55.81 -50.49 70.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.422 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 40.8 mt -49.13 -49.65 41.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.48 -32.97 74.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.4 ' O ' ' N ' ' A' ' 72' ' ' ASN . 62.3 t90 -63.69 -58.56 6.51 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.762 HG23 ' CD1' ' A' ' 76' ' ' ILE . 76.4 mt -44.66 -51.77 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.314 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 77.6 mt -60.61 -42.55 97.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.85 -16.76 64.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 68' ' ' TRP . 8.6 m120 -137.91 46.28 2.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 1.0 OUTLIER -83.31 -42.51 17.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.59 -23.31 4.09 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.142 . . . . 0.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -85.03 -27.21 34.67 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.762 ' CD1' HG23 ' A' ' 69' ' ' ILE . 57.7 mt -72.48 123.34 26.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 0.755 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.9 p -140.6 139.69 34.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.01 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.862 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -96.08 109.04 21.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 111.042 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.506 ' N ' HD13 ' A' ' 79' ' ' ILE . 4.4 mm -83.56 89.9 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.24 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.527 HD13 HG22 ' A' ' 44' ' ' VAL . 0.5 OUTLIER -65.75 146.74 13.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.269 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -131.81 -48.41 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.238 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -163.6 157.41 16.56 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 110.315 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -177.63 3.61 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.532 1.806 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 23.2 m-85 -99.66 151.5 21.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -82.48 125.76 31.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 135.49 154.41 6.98 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.523 1.139 . . . . 0.0 111.053 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 174.59 12.53 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.505 1.792 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -156.04 101.86 2.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.278 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.93 118.53 21.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 109.983 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -102.04 138.8 38.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -174.95 148.38 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 131.82 163.24 10.72 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.51 1.131 . . . . 0.0 110.969 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 125.75 96.82 1.06 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 53.8 p -139.99 159.56 41.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 0.764 . . . . 0.0 110.03 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 176.36 97.23 0.11 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.457 1.098 . . . . 0.0 111.022 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 146.53 32.78 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.503 1.791 . . . . 0.0 110.951 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.62 114.55 1.85 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.035 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.26 133.27 16.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.994 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -129.96 -57.98 1.09 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 0.734 . . . . 0.0 109.967 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 p 55.88 169.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.997 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.38 80.55 0.29 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.507 1.129 . . . . 0.0 111.015 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.7 t -177.66 158.41 1.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 0.765 . . . . 0.0 110.055 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.3 m -138.24 166.86 23.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.973 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.85 -150.91 23.24 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.492 HD23 ' CD1' ' A' ' 70' ' ' LEU . 0.6 OUTLIER -61.25 -57.87 10.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 0.746 . . . . 0.0 109.339 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -41.85 -50.92 4.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.26 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 13' ' ' GLU . 0.7 OUTLIER -67.03 -49.3 65.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -45.58 -51.27 12.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.552 HG11 ' HB3' ' A' ' 58' ' ' PRO . 45.8 t -55.09 -35.11 33.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.449 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 2.4 mm-40 -76.34 -42.65 44.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 110.274 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.27 -15.83 28.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.525 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 76.6 t80 -90.45 -66.18 0.95 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.977 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' A' ' 15' ' ' TYR . 6.4 m-85 -35.91 -36.52 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 83.9 m -63.75 -61.67 2.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 108.307 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -43.92 -35.69 2.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 12.9 m -63.74 -61.38 2.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 108.257 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.599 ' O ' HD12 ' A' ' 24' ' ' LEU . 3.3 t80 -51.87 -37.05 50.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.467 ' O ' HG22 ' A' ' 26' ' ' THR . . . -71.38 -32.41 65.06 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.48 1.113 . . . . 0.0 111.007 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -77.43 -26.74 51.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 0.736 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.58 -44.77 15.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.65 HD13 HG21 ' A' ' 30' ' ' VAL . 4.9 mt -57.82 -33.19 68.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.42 24.61 10.03 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.524 1.14 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.467 HG22 ' O ' ' A' ' 21' ' ' GLY . 8.8 t -100.46 172.65 6.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 0.759 . . . . 0.0 110.406 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.55 HG22 ' O ' ' A' ' 27' ' ' THR . 39.3 m -111.93 19.66 17.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.429 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.443 HG22 ' OG1' ' A' ' 26' ' ' THR . 11.8 m -132.98 -173.86 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 78.0 mtp -98.64 133.05 43.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.65 HG21 HD13 ' A' ' 24' ' ' LEU . 65.3 t -114.59 136.74 22.45 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 18.3 Cg_endo -75.0 107.69 2.54 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.508 1.794 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.829 HG11 ' HZ ' ' A' ' 55' ' ' PHE . 43.7 t -51.59 116.87 8.49 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.597 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -74.98 82.49 1.99 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.51 1.795 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.406 ' O ' ' C ' ' A' ' 35' ' ' GLU . 67.6 m-85 -59.16 -65.22 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 34' ' ' TYR . 1.4 tp10 -38.27 -37.55 0.29 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.566 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 17.9 mtpt -69.58 -67.48 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.504 ' HE3' ' CE2' ' A' ' 78' ' ' PHE . 72.4 mtp -50.43 -41.97 53.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.976 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 26.6 mt -59.62 -39.88 85.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -74.26 -53.77 9.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.319 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -127.36 120.04 27.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -93.64 18.1 10.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.5 m -99.56 27.23 5.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.039 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -116.21 -55.67 2.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.802 HG11 ' CD2' ' A' ' 78' ' ' PHE . 9.2 t -136.19 149.73 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 24.7 t -116.14 145.99 21.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.339 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.478 HG21 ' CB ' ' A' ' 55' ' ' PHE . 72.6 t -104.84 136.57 37.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -143.68 124.33 14.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.266 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.4 ' O ' ' CG1' ' A' ' 76' ' ' ILE . . . 113.71 29.21 2.95 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.421 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 8.5 mt -101.33 165.2 14.54 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.488 0.758 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.672 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.3 Cg_endo -75.02 168.74 24.15 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 1.0 ' O ' HG23 ' A' ' 53' ' ' VAL . 11.8 tt0 -62.44 144.75 55.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 42.47 45.51 5.45 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.56 1.163 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 1.0 HG23 ' O ' ' A' ' 51' ' ' GLU . 94.8 t -136.7 131.1 47.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.542 0.789 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -99.66 173.58 6.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.829 ' HZ ' HG11 ' A' ' 32' ' ' VAL . 32.5 t80 -86.97 14.89 6.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 111.039 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.447 ' HG3' ' CE1' ' A' ' 61' ' ' TYR . 11.6 pt20 -45.52 169.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.444 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.7 t-80 -50.15 144.83 10.58 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.57 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.696 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.96 -28.56 9.14 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.549 1.815 . . . . 0.0 111.005 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.26 -19.87 2.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 61' ' ' TYR . 40.2 m-80 -89.87 -49.83 6.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.696 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.8 m-30 -37.08 137.0 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' LEU . 3.4 m-20 -71.01 147.17 48.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' ASP . 2.1 tp -39.66 -32.9 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.132 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.402 ' N ' ' C ' ' A' ' 62' ' ' ASP . . . -70.52 -56.29 6.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 56.7 m -53.18 -50.35 64.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.39 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 41.4 mt -48.23 -51.17 26.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.468 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -65.91 -32.53 74.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.405 ' O ' ' N ' ' A' ' 72' ' ' ASN . 50.9 t90 -63.74 -57.64 9.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 108.005 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.536 ' CD1' ' CD2' ' A' ' 61' ' ' TYR . 35.2 mt -45.63 -49.45 4.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.492 ' CD1' HD23 ' A' ' 8' ' ' LEU . 48.8 mt -63.95 -38.22 90.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.14 -7.7 54.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' A' ' 68' ' ' TRP . 9.2 m120 -144.17 40.41 1.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.525 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 5.7 pttt -85.81 -34.25 21.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.79 -19.62 12.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -94.73 -23.56 20.55 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.46 ' CD1' HG23 ' A' ' 69' ' ' ILE . 67.6 mt -73.03 122.95 26.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 0.784 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.9 p -141.29 139.79 33.73 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 110.032 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.802 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -95.22 108.18 20.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 110.952 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.511 ' N ' HD13 ' A' ' 79' ' ' ILE . 4.3 mm -82.27 90.08 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.598 HD13 HG22 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -65.24 144.03 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.152 . . . . 0.0 109.334 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -129.54 -45.78 1.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -168.03 156.5 8.31 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 179.4 6.12 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.501 1.79 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.566 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 41.1 m-85 -96.33 172.12 8.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.1 mp -101.84 105.98 16.9 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -120.98 162.12 14.81 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 177.5 8.51 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.528 1.804 . . . . 0.0 110.988 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -166.75 98.04 0.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 48.2 p -146.33 152.63 39.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.004 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -136.58 156.79 48.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.24 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -146.09 -53.49 0.26 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 116.37 146.35 8.55 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.508 1.13 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -173.71 -116.63 0.43 Allowed Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.3 t 61.35 155.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 0.771 . . . . 0.0 109.995 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -164.25 80.09 0.13 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.131 . . . . 0.0 111.033 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 144.75 30.69 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.484 1.781 . . . . 0.0 110.987 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 24.4 p -156.33 132.28 9.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.994 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.67 164.14 14.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.954 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -54.62 107.54 0.3 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 0.764 . . . . 0.0 110.017 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.1 p 47.98 96.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.008 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.63 178.93 44.89 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.72 170.57 7.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 0.749 . . . . 0.0 109.982 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.3 t -179.16 103.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.996 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.24 169.32 45.83 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.533 1.146 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.463 ' CD2' ' HG3' ' A' ' 67' ' ' LYS . 0.6 OUTLIER -80.98 -57.23 3.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 0.731 . . . . 0.0 109.326 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.479 ' CD ' ' HA ' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -38.37 -53.79 1.49 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -63.89 -52.48 59.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -39.74 -42.38 1.24 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.535 HG12 ' CE2' ' A' ' 16' ' ' PHE . 96.8 t -67.91 -59.05 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.46 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 2.4 mt-10 -51.87 -25.34 7.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.265 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -74.65 -29.3 61.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.511 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 78.6 t80 -80.85 -61.81 1.85 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.098 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.535 ' CE2' HG12 ' A' ' 12' ' ' VAL . 6.1 m-85 -36.36 -36.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.994 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 70.9 m -65.34 -65.15 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 108.289 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -40.73 -31.63 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.0 m -67.38 -63.74 1.0 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 108.301 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.592 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 5.9 t80 -49.26 -37.66 24.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.6 ' O ' HG22 ' A' ' 26' ' ' THR . . . -70.31 -36.54 70.36 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.472 1.108 . . . . 0.0 110.954 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -71.41 -25.52 62.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 0.794 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.17 -46.81 12.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.525 HD11 ' CD2' ' A' ' 20' ' ' TYR . 4.4 mt -58.72 -21.39 54.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.15 30.97 18.42 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 111.023 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.6 HG22 ' O ' ' A' ' 21' ' ' GLY . 5.7 t -106.19 171.42 7.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.752 . . . . 0.0 110.399 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.601 HG22 ' O ' ' A' ' 27' ' ' THR . 18.4 m -112.99 20.86 15.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.407 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.469 HG22 ' OG1' ' A' ' 26' ' ' THR . 15.4 m -134.16 -177.69 2.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 61.7 mtp -92.77 135.17 34.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.524 HG12 ' CD2' ' A' ' 20' ' ' TYR . 46.5 t -116.4 137.47 23.58 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 18.3 Cg_endo -75.01 106.66 2.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.467 1.772 . . . . 0.0 110.991 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.811 HG11 ' CZ ' ' A' ' 55' ' ' PHE . 56.0 t -51.19 117.33 8.77 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.256 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.592 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -75.07 74.66 3.97 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.458 1.767 . . . . 0.0 110.963 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.525 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 95.1 m-85 -52.29 -64.52 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -38.46 -38.85 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.526 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 5.8 mtpt -70.09 -69.38 0.36 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 79.7 mtp -47.82 -48.28 30.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.6 mt -53.53 -49.83 66.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -61.8 -56.14 22.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.65 125.08 35.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -95.22 18.8 11.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.83 29.24 3.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.021 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -121.22 -54.41 2.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 109.342 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.567 HG22 HD13 ' A' ' 80' ' ' ILE . 10.8 t -135.92 142.84 37.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.6 t -109.67 147.36 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.492 HG21 ' CB ' ' A' ' 55' ' ' PHE . 79.3 t -106.89 138.72 31.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -145.25 126.97 15.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 110.258 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.73 31.06 3.05 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.561 1.163 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.425 ' HA ' HD23 ' A' ' 49' ' ' LEU . 7.0 mt -102.66 165.15 14.25 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.692 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.3 Cg_endo -75.02 172.25 16.74 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.521 1.801 . . . . 0.0 110.946 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 1.022 ' O ' HG23 ' A' ' 53' ' ' VAL . 25.3 tt0 -62.63 146.2 52.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 110.331 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 38.07 48.18 2.01 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.538 1.149 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 1.022 HG23 ' O ' ' A' ' 51' ' ' GLU . 92.8 t -136.82 131.94 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -101.36 172.55 6.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.153 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.811 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 33.4 t80 -85.05 13.3 6.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 57' ' ' HIS . 13.3 pt20 -49.61 162.47 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.451 ' ND1' ' OE1' ' A' ' 59' ' ' GLU . 1.7 t-80 -39.96 142.33 0.7 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.578 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.691 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -75.02 -27.8 9.67 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.447 1.762 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.479 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 12.2 pt-20 -50.39 -20.9 1.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 61' ' ' TYR . 56.6 m-80 -89.02 -48.23 7.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.691 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.8 m-30 -36.83 147.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' LEU . 3.5 m-20 -82.54 148.97 27.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' ASP . 16.8 tp -39.86 -36.41 0.45 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.99 -56.72 7.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.107 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 73.1 m -52.13 -48.35 64.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.427 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 53.9 mt -53.04 -55.11 26.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.463 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -63.52 -28.25 69.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.428 ' O ' ' N ' ' A' ' 71' ' ' GLU . 72.5 t90 -68.24 -63.02 1.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 107.979 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.888 HG23 ' CD1' ' A' ' 76' ' ' ILE . 75.1 mt -42.11 -49.72 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.454 ' CD1' HD23 ' A' ' 8' ' ' LEU . 90.8 mt -60.69 -43.03 98.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 68' ' ' TRP . 0.8 OUTLIER -68.3 -17.49 64.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -135.56 45.81 2.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.511 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 0.7 OUTLIER -81.19 -41.89 21.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.91 -25.6 3.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -83.46 -27.43 39.45 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.46 1.1 . . . . 0.0 110.984 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.888 ' CD1' HG23 ' A' ' 69' ' ' ILE . 37.4 mt -71.53 122.98 24.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 0.779 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.8 p -142.89 135.15 27.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.994 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.529 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -91.14 106.35 18.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.492 ' N ' HD13 ' A' ' 79' ' ' ILE . 4.7 mm -81.37 88.92 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.567 HD13 HG22 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -66.15 131.06 31.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -114.57 -40.19 3.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -174.37 156.64 2.36 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.324 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 178.61 7.04 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.535 1.808 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.526 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 64.6 m-85 -95.96 146.65 24.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.94 161.79 29.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 77.9 171.45 37.4 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.526 1.141 . . . . 0.0 111.04 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 152.64 41.13 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.541 1.811 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.21 156.97 47.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.27 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.8 t 65.88 122.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.98 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.54 145.99 24.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 110.312 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 45.1 tp -138.17 152.63 48.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 167.45 136.51 2.05 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 124.76 103.36 1.48 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.16 154.53 3.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 0.754 . . . . 0.0 110.026 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 103.4 86.9 1.97 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.12 . . . . 0.0 110.962 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 171.72 17.78 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.52 1.8 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.3 t 60.61 158.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.98 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 35.2 p 178.18 -58.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.986 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.507 1.13 . . . . 0.0 110.974 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.59 -59.03 1.45 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.554 0.796 . . . . 0.0 110.02 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.2 m -93.36 158.25 15.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.97 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.95 112.52 1.24 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.9 m -165.39 158.85 16.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 0.781 . . . . 0.0 109.996 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.4 m 62.65 114.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.04 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.506 ' O ' ' HB2' ' A' ' 11' ' ' ALA . . . 179.16 -163.68 31.39 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.57 HD22 ' HD2' ' A' ' 67' ' ' LYS . 0.4 OUTLIER -93.85 -67.07 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 8' ' ' LEU . 2.2 ttm180 -38.04 -48.71 1.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 110.329 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -49.9 65.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.506 ' HB2' ' O ' ' A' ' 7' ' ' GLY . . . -43.85 -47.71 8.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.506 HG12 ' CE2' ' A' ' 16' ' ' PHE . 78.5 t -59.15 -44.92 92.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.454 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 1.8 mm-40 -66.59 -31.18 71.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.321 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.74 -20.93 63.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.561 ' CE2' ' HB2' ' A' ' 73' ' ' LYS . 79.5 t80 -88.4 -62.96 1.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.439 1.087 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.506 ' CE2' HG12 ' A' ' 12' ' ' VAL . 5.7 m-85 -36.14 -40.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 99.4 m -60.47 -63.01 1.45 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.105 . . . . 0.0 108.268 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -40.96 -38.57 0.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.961 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.7 m -62.58 -58.89 5.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 108.296 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.593 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 4.5 t80 -51.94 -40.63 61.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.11 -38.08 92.05 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -70.53 -25.88 63.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 0.754 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.11 -46.14 13.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.585 HD13 HG21 ' A' ' 30' ' ' VAL . 4.4 mt -57.52 -26.02 60.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.62 -8.9 52.0 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.122 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.584 ' OG1' HG22 ' A' ' 28' ' ' VAL . 6.0 t -71.96 168.08 18.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 0.746 . . . . 0.0 110.433 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.2 m -110.63 14.98 22.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.364 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.584 HG22 ' OG1' ' A' ' 26' ' ' THR . 11.0 m -122.96 -178.36 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 60.3 mtp -92.78 127.27 38.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.585 HG21 HD13 ' A' ' 24' ' ' LEU . 53.6 t -110.37 138.95 21.06 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.442 ' HD2' HG13 ' A' ' 30' ' ' VAL . 18.6 Cg_endo -74.95 111.82 3.42 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.49 1.784 . . . . 0.0 111.063 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.839 HG11 ' CZ ' ' A' ' 55' ' ' PHE . 49.5 t -56.95 116.45 13.37 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.593 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.4 Cg_endo -74.99 81.17 2.26 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.455 1.766 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.411 ' O ' ' C ' ' A' ' 35' ' ' GLU . 35.7 m-85 -58.42 -62.81 1.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -38.26 -32.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.551 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 16.9 mttm -76.73 -67.76 0.67 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.521 ' HE3' ' CE2' ' A' ' 78' ' ' PHE . 61.0 mtp -48.58 -37.12 17.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.2 mt -64.46 -41.55 96.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.3 mtt180 -71.15 -53.49 14.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -128.89 120.84 26.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -93.26 18.27 9.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 m -101.01 30.29 4.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 110.001 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -116.57 -60.74 1.82 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.771 HG11 ' CD2' ' A' ' 78' ' ' PHE . 13.2 t -133.21 142.05 43.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.4 t -104.42 154.82 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.523 HG21 ' CB ' ' A' ' 55' ' ' PHE . 74.3 t -113.6 138.97 41.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -144.93 127.82 16.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.58 33.32 2.7 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 49' ' ' LEU . 7.6 mt -105.31 164.44 15.09 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.477 0.751 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.485 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.2 Cg_endo -75.02 156.96 42.91 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.5 1.79 . . . . 0.0 110.977 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -57.33 132.26 52.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 59.34 50.45 67.59 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.485 HG11 ' HG2' ' A' ' 50' ' ' PRO . 99.0 t -148.6 130.08 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 0.747 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.38 174.52 6.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.839 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 37.9 t80 -86.26 14.73 6.06 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -47.75 163.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.262 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.409 ' ND1' ' HD2' ' A' ' 58' ' ' PRO . 1.7 t-80 -42.77 143.26 1.22 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 109.589 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.692 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -74.99 -28.34 9.26 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.531 1.806 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.4 -20.59 1.84 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 61' ' ' TYR . 29.2 m-80 -89.26 -48.3 7.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.692 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.5 m-30 -37.06 146.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 63' ' ' LEU . 1.2 m-20 -82.2 152.98 26.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.462 ' CD1' ' HE3' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -39.71 -48.86 2.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 68' ' ' TRP . . . -56.74 -58.31 8.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 88.7 m -50.32 -53.81 26.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.445 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 44.0 mt -47.96 -52.29 20.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.57 ' HD2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -67.61 -28.73 67.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.328 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.441 ' N ' ' O ' ' A' ' 64' ' ' ALA . 57.4 t90 -66.61 -57.92 6.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 107.988 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.738 HG23 ' CD1' ' A' ' 76' ' ' ILE . 48.9 mt -47.76 -46.07 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.498 ' CD1' HD23 ' A' ' 8' ' ' LEU . 61.0 mt -64.98 -39.75 93.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.244 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.23 -13.12 61.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.122 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -141.32 43.34 1.77 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.561 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . 11.5 pttp -80.97 -41.67 22.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.43 -22.35 2.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -87.44 -24.66 35.7 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.738 ' CD1' HG23 ' A' ' 69' ' ' ILE . 42.8 mt -72.41 121.82 23.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.469 0.747 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.6 m -138.33 142.8 39.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.985 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.771 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -101.27 109.37 21.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 111.032 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.471 ' N ' HD13 ' A' ' 79' ' ' ILE . 5.2 mm -83.36 90.2 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.625 HD13 HG22 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -64.85 139.46 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -125.61 -46.84 1.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.1 ptt180 -167.16 156.58 9.58 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.27 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 178.58 7.07 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.449 1.763 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.551 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 49.5 m-85 -94.82 -179.97 5.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.76 131.74 54.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 134.8 156.57 7.79 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -173.78 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.482 1.78 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -136.9 136.56 38.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.323 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.13 125.99 52.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.023 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.68 103.07 5.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.258 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 58.4 102.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -174.55 163.26 33.72 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 110.952 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 142.6 91.95 0.17 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.0 m -79.41 91.49 5.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 0.793 . . . . 0.0 110.01 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -108.87 140.51 15.63 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.526 1.142 . . . . 0.0 111.031 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 123.52 7.94 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.464 1.77 . . . . 0.0 110.973 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.8 t -109.14 105.0 14.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.102 . . . . 0.0 110.035 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.9 m -63.39 -59.61 4.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.938 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.557 1.161 . . . . 0.0 110.992 -179.943 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -170.05 100.06 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 0.797 . . . . 0.0 109.986 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.8 t -62.07 128.24 35.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.036 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 49.7 -153.3 3.16 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.477 1.111 . . . . 0.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.22 88.52 2.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.755 . . . . 0.0 110.041 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 t 62.47 149.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.977 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.524 ' O ' ' HB2' ' A' ' 11' ' ' ALA . . . -140.79 -176.5 15.36 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.563 HD22 ' HD2' ' A' ' 67' ' ' LYS . 0.5 OUTLIER -93.43 -66.62 0.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 0.769 . . . . 0.0 109.271 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 8' ' ' LEU . 14.1 ttp180 -37.93 -52.6 1.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -50.33 71.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.524 ' HB2' ' O ' ' A' ' 7' ' ' GLY . . . -44.97 -43.33 8.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.511 HG12 ' CE2' ' A' ' 16' ' ' PHE . 74.8 t -61.65 -50.87 78.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.477 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 3.0 mt-10 -57.3 -36.41 71.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 110.331 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -60.58 -40.05 90.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.515 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 67.1 t80 -67.84 -64.67 0.81 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 110.99 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.511 ' CE2' HG12 ' A' ' 12' ' ' VAL . 6.9 m-85 -36.03 -45.18 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 77.4 m -62.45 -55.01 31.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 108.317 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 15' ' ' TYR . 1.1 t80 -50.87 -30.52 14.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.6 m -69.69 -57.16 5.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 108.266 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.579 ' CD2' HD11 ' A' ' 24' ' ' LEU . 2.9 t80 -54.45 -38.74 66.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.25 -35.0 76.1 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt -73.8 -25.63 60.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 0.743 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.74 -45.3 13.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.68 HD13 HG21 ' A' ' 30' ' ' VAL . 3.9 mt -58.97 -33.64 70.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.58 26.26 7.31 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.652 ' OG1' HG22 ' A' ' 28' ' ' VAL . 4.4 t -107.2 162.97 13.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.77 . . . . 0.0 110.405 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.5 m -105.14 21.76 16.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.41 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.652 HG22 ' OG1' ' A' ' 26' ' ' THR . 19.8 m -131.21 -177.96 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.3 mtm -95.64 133.51 39.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.969 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.68 HG21 HD13 ' A' ' 24' ' ' LEU . 58.8 t -111.11 139.26 21.65 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.479 ' HD2' HG13 ' A' ' 30' ' ' VAL . 18.3 Cg_endo -74.98 92.55 0.98 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.481 1.779 . . . . 0.0 110.973 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.734 HG11 ' HZ ' ' A' ' 55' ' ' PHE . 56.1 t -40.2 115.52 1.14 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.57 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -75.06 82.2 2.07 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.515 1.798 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.499 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 94.6 m-85 -59.53 -63.76 1.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -38.92 -39.13 0.5 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 110.334 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.562 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 1.3 mtpp -67.75 -69.23 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.525 ' HE3' ' CE2' ' A' ' 78' ' ' PHE . 77.9 mtp -49.22 -41.8 38.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 111.038 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.3 mt -59.71 -49.08 79.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.2 mtt180 -62.99 -53.85 47.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -132.68 125.77 31.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 109.273 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -96.48 19.02 12.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.324 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 m -95.55 27.15 3.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.967 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -119.48 -52.64 2.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.813 HG11 ' CD2' ' A' ' 78' ' ' PHE . 5.9 t -137.53 151.94 26.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 27.2 t -119.31 145.01 26.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.574 HG21 ' CB ' ' A' ' 55' ' ' PHE . 79.3 t -104.09 137.24 33.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -144.74 125.77 14.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.261 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 112.66 31.42 2.55 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.414 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 7.7 mt -103.2 164.47 15.42 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.472 0.748 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.426 ' HG2' HG21 ' A' ' 53' ' ' VAL . 18.3 Cg_endo -74.96 157.28 43.03 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.591 1.837 . . . . 0.0 110.981 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -59.23 129.11 40.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 110.289 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 65.31 48.99 63.63 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.56 1.162 . . . . 0.0 111.049 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.426 HG21 ' HG2' ' A' ' 50' ' ' PRO . 85.7 t -150.23 135.48 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.441 0.73 . . . . 0.0 109.321 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -103.17 178.35 4.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.734 ' HZ ' HG11 ' A' ' 32' ' ' VAL . 45.5 t80 -88.78 15.1 8.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -50.9 166.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.418 ' ND1' ' OE2' ' A' ' 59' ' ' GLU . 1.7 t-80 -43.3 142.11 1.73 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.589 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.685 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.95 -28.54 9.17 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.419 1.747 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.418 ' OE2' ' ND1' ' A' ' 57' ' ' HIS . 12.4 pt-20 -49.6 -21.88 1.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 61' ' ' TYR . 32.1 m-80 -88.67 -48.21 7.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.685 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.1 m-30 -37.01 139.32 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 111.012 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 63' ' ' LEU . 2.5 m-20 -74.44 150.97 39.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.457 ' CD2' ' HE2' ' A' ' 67' ' ' LYS . 1.3 tp -39.24 -51.45 1.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 68' ' ' TRP . . . -54.67 -54.31 43.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 83.7 m -53.47 -55.32 26.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.423 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 44.1 mt -47.0 -49.45 20.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.361 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.563 ' HD2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -69.37 -29.49 67.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.408 ' N ' ' O ' ' A' ' 64' ' ' ALA . 61.3 t90 -65.78 -58.52 5.45 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.816 HG23 ' CD1' ' A' ' 76' ' ' ILE . 68.4 mt -46.01 -49.92 4.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.42 ' CD1' HD23 ' A' ' 8' ' ' LEU . 70.5 mt -60.89 -43.5 98.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.45 -18.41 65.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -135.72 46.78 2.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.15 . . . . 0.0 109.321 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 1.5 ptmm? -82.35 -43.4 17.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.95 -23.47 2.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -83.76 -27.0 39.79 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.467 1.104 . . . . 0.0 111.004 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.816 ' CD1' HG23 ' A' ' 69' ' ' ILE . 57.7 mt -72.19 122.85 25.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.529 0.782 . . . . 0.0 109.308 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.8 m -141.73 135.15 29.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.001 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.813 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -92.01 108.09 19.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.48 ' N ' HD13 ' A' ' 79' ' ' ILE . 4.8 mm -83.55 91.08 2.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.625 HD13 HG22 ' A' ' 44' ' ' VAL . 0.9 OUTLIER -65.77 150.88 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -137.29 -47.34 0.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 109.247 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -164.3 156.3 14.31 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.276 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -176.05 2.68 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.458 1.767 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.562 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 27.5 m-85 -100.32 162.65 12.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.4 mp -96.86 159.09 15.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 102.68 158.32 25.66 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.477 1.11 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 174.47 12.71 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.476 1.777 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -156.65 142.12 17.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.32 143.66 30.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.022 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -167.73 114.92 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.33 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.4 tp -163.61 149.31 11.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -118.01 -166.33 13.77 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -176.34 136.03 3.1 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.84 146.9 2.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 110.074 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -173.96 103.03 0.18 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.14 . . . . 0.0 110.987 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 176.47 9.88 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.499 1.789 . . . . 0.0 110.964 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 83.5 p -152.62 172.06 17.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.961 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.8 t -146.51 155.6 42.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.997 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 m -96.74 134.69 39.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 0.0 109.971 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.3 t -82.14 84.91 6.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.024 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.14 -99.87 1.68 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.542 1.151 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.0 t 46.69 87.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.409 0.711 . . . . 0.0 110.002 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 173.54 105.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.005 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.59 163.23 26.17 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.468 ' CD2' ' HG3' ' A' ' 67' ' ' LYS . 0.6 OUTLIER -67.3 -57.77 6.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 0.759 . . . . 0.0 109.264 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.7 mtm180 -43.43 -45.99 6.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 13' ' ' GLU . 10.2 mmtm -70.39 -52.59 21.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -40.64 -53.14 2.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.476 HG12 ' CE2' ' A' ' 16' ' ' PHE . 83.1 t -54.33 -44.33 65.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.466 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 2.6 mt-10 -68.75 -30.21 68.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -74.74 -16.36 60.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 33.1 t80 -92.06 -60.73 1.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.476 ' CE2' HG12 ' A' ' 12' ' ' VAL . 4.1 m-85 -37.63 -39.56 0.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 89.8 m -64.12 -53.51 48.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 108.288 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.463 ' N ' ' O ' ' A' ' 15' ' ' TYR . 1.5 t80 -49.55 -28.21 5.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.0 m -73.92 -58.99 2.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 108.28 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.592 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 4.6 t80 -53.22 -35.85 60.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.35 -35.4 60.09 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.4 mttm -73.6 -26.44 60.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 0.736 . . . . 0.0 109.268 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.8 -44.61 15.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.353 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.685 HD13 HG21 ' A' ' 30' ' ' VAL . 5.5 mt -59.3 -32.43 70.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.138 . . . . 0.0 109.297 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.27 28.13 7.36 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.589 ' OG1' HG22 ' A' ' 28' ' ' VAL . 14.9 t -109.65 152.58 25.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 110.386 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.7 p -94.01 23.53 4.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 110.413 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.589 HG22 ' OG1' ' A' ' 26' ' ' THR . 27.0 m -132.73 -174.63 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.7 mtm -99.75 131.82 45.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.685 HG21 HD13 ' A' ' 24' ' ' LEU . 59.1 t -109.41 138.38 20.52 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.456 ' HD2' HG13 ' A' ' 30' ' ' VAL . 18.2 Cg_endo -75.03 101.06 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.476 1.777 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.734 HG11 ' CZ ' ' A' ' 55' ' ' PHE . 51.5 t -47.66 113.75 2.78 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.592 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -75.02 83.97 1.74 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.485 1.782 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.446 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 96.4 m-85 -60.16 -64.92 0.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 111.034 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -36.66 -40.16 0.24 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.554 1.159 . . . . 0.0 110.317 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.549 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 67.4 mttt -69.47 -69.12 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.539 ' HE3' ' CE2' ' A' ' 78' ' ' PHE . 89.6 mtp -47.7 -37.37 12.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.8 mt -65.48 -51.49 59.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -60.22 -53.12 61.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -130.47 127.67 39.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -98.54 16.19 22.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.246 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.22 27.49 3.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.983 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -118.85 -54.48 2.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.261 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.852 HG11 ' CD2' ' A' ' 78' ' ' PHE . 8.2 t -136.7 152.21 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.273 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.6 t -119.35 150.52 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.554 HG21 ' CB ' ' A' ' 55' ' ' PHE . 69.5 t -110.02 136.65 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -144.94 124.09 12.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.267 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 115.22 30.16 2.35 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.417 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 7.0 mt -101.73 164.55 15.67 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.417 ' HD2' ' HB3' ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.01 158.55 42.1 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.477 1.778 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.61 129.74 43.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 64.17 49.51 66.07 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 89.6 t -150.99 135.86 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.258 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -103.61 -179.88 4.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.734 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 44.6 t80 -89.88 14.75 11.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -49.6 165.77 0.06 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.403 ' ND1' ' HD2' ' A' ' 58' ' ' PRO . 1.7 t-80 -44.28 143.11 2.04 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.568 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.688 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.0 -29.0 8.69 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 0.0 110.99 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -48.8 -22.5 0.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 61' ' ' TYR . 9.3 m120 -87.58 -49.34 7.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.688 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.1 m-30 -37.35 144.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 65' ' ' THR . 1.8 m-20 -78.38 147.65 34.01 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.4 tp -40.27 -36.69 0.55 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.2 -54.08 24.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 62' ' ' ASP . 93.5 m -54.83 -51.03 67.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.364 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 38.9 mt -48.6 -50.51 32.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.468 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -67.15 -31.52 72.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 63.3 t90 -64.94 -58.64 5.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 107.99 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.881 HG23 ' CD1' ' A' ' 76' ' ' ILE . 73.3 mt -45.08 -52.12 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 90.2 mt -59.99 -43.35 95.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.262 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.91 -17.61 64.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.251 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -136.04 45.3 2.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 1.7 ptmm? -81.04 -42.14 21.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.73 -23.74 2.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.63 -28.28 32.88 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.494 1.121 . . . . 0.0 111.017 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.881 ' CD1' HG23 ' A' ' 69' ' ' ILE . 60.7 mt -72.23 119.72 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 0.778 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 m -138.05 136.87 37.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.852 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -93.62 110.82 22.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.945 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.496 ' N ' HD13 ' A' ' 79' ' ' ILE . 4.7 mm -84.25 91.04 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.579 1.174 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.596 HD13 HG22 ' A' ' 44' ' ' VAL . 0.8 OUTLIER -68.58 142.45 16.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -129.39 -45.89 1.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -163.47 155.4 15.04 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 176.55 9.77 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.523 1.802 . . . . 0.0 110.951 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.549 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 45.1 m-85 -92.23 164.45 13.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 111.032 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.2 mt -90.79 99.61 12.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 159.32 174.31 28.88 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 155.37 42.6 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.525 1.803 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.05 144.02 45.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 110.325 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.43 149.8 15.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.006 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -116.79 -36.47 3.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.83 -178.17 5.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 159.45 119.37 0.54 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.446 1.091 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 117.82 -177.63 16.63 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.4 t -179.04 151.81 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 0.759 . . . . 0.0 109.991 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -124.36 155.05 18.05 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.509 1.13 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -173.83 1.71 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.473 1.775 . . . . 0.0 111.01 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 24.4 t -146.15 136.17 23.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.018 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.66 168.63 5.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 O-C-N 124.553 1.158 . . . . 0.0 111.02 179.991 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.69 135.58 38.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.566 0.803 . . . . 0.0 109.956 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.4 m -63.15 154.45 31.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.022 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.2 109.41 3.76 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.546 1.154 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -80.21 128.29 33.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 0.747 . . . . 0.0 109.942 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.6 t -104.72 109.31 21.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.971 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.41 -177.56 28.79 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.128 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.45 ' CD2' ' HG3' ' A' ' 67' ' ' LYS . 0.5 OUTLIER -65.61 -65.3 0.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 0.746 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 8' ' ' LEU . 11.8 ttp180 -38.33 -55.5 1.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 13' ' ' GLU . 0.4 OUTLIER -58.79 -49.72 76.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 8' ' ' LEU . . . -46.47 -46.1 18.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.598 HG11 ' HB3' ' A' ' 58' ' ' PRO . 49.4 t -60.18 -36.69 69.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.47 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 2.3 mt-10 -72.9 -39.36 66.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.334 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.34 -21.53 66.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 44.9 t80 -83.51 -66.76 0.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.945 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.428 ' CD1' ' HE1' ' A' ' 55' ' ' PHE . 6.6 m-85 -36.71 -37.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.953 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 78.6 m -64.04 -67.02 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 108.324 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -40.55 -33.85 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 62.6 m -65.89 -60.67 2.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 108.299 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.587 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 4.9 t80 -52.93 -36.47 59.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.63 ' O ' HG22 ' A' ' 26' ' ' THR . . . -71.76 -33.35 63.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -75.56 -26.55 58.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.759 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.87 -44.91 14.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.564 HD13 HG21 ' A' ' 30' ' ' VAL . 5.4 mt -57.66 -27.06 62.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.85 31.08 7.95 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.63 HG22 ' O ' ' A' ' 21' ' ' GLY . 9.0 t -110.14 168.4 9.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 0.756 . . . . 0.0 110.411 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.626 HG22 ' O ' ' A' ' 27' ' ' THR . 8.4 m -109.12 20.98 17.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.369 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.451 HG22 ' OG1' ' A' ' 26' ' ' THR . 14.8 m -133.34 -176.73 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 80.6 mtp -94.65 136.24 35.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.564 HG21 HD13 ' A' ' 24' ' ' LEU . 62.0 t -116.41 137.27 23.43 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 18.4 Cg_endo -74.97 105.69 2.13 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.535 1.808 . . . . 0.0 111.036 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.734 HG11 ' HZ ' ' A' ' 55' ' ' PHE . 55.7 t -51.62 114.48 5.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.587 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -75.0 81.43 2.21 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.462 1.769 . . . . 0.0 111.035 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.461 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 97.0 m-85 -57.6 -64.76 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 34' ' ' TYR . 2.2 tp10 -37.18 -39.06 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.473 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 15.0 mttm -71.13 -69.01 0.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.518 ' HE3' ' CE2' ' A' ' 78' ' ' PHE . 90.0 mtp -47.19 -38.37 11.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.7 mt -65.83 -48.51 71.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.247 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.9 mtt-85 -63.36 -50.18 70.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.338 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.57 124.81 30.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -97.51 17.22 18.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.3 26.86 5.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.961 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -116.84 -52.93 2.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.843 HG11 ' CD2' ' A' ' 78' ' ' PHE . 10.5 t -139.44 152.12 23.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.6 t -117.88 155.61 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.509 HG21 ' CB ' ' A' ' 55' ' ' PHE . 75.2 t -114.76 135.05 55.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -142.76 125.17 15.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.273 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.36 27.6 3.58 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.42 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 7.9 mt -99.41 165.1 15.39 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.499 0.764 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.654 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.2 Cg_endo -75.02 172.5 16.24 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.447 1.762 . . . . 0.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 1.012 ' O ' HG23 ' A' ' 53' ' ' VAL . 6.0 tt0 -64.56 144.16 57.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 41.78 46.01 4.79 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.466 1.104 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 1.012 HG23 ' O ' ' A' ' 51' ' ' GLU . 95.3 t -136.65 129.34 45.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 0.781 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.79 177.02 5.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.734 ' HZ ' HG11 ' A' ' 32' ' ' VAL . 34.2 t80 -89.6 15.15 9.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.983 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.482 ' HG3' ' CE1' ' A' ' 61' ' ' TYR . 8.6 pt20 -46.87 170.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.521 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.5 t-80 -50.58 147.1 8.52 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.617 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.68 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -74.98 -31.8 5.93 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.485 1.782 . . . . 0.0 111.033 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -49.17 -22.02 0.89 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -88.13 -49.68 6.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.68 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.6 m-30 -38.37 139.25 0.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 63' ' ' LEU . 4.8 m-20 -73.44 149.67 42.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 62' ' ' ASP . 19.1 tp -39.37 -43.14 1.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.89 -55.85 25.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 90.3 m -52.32 -52.08 55.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 110.407 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 44.7 mt -49.19 -53.06 23.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.45 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -63.88 -31.52 72.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.445 ' O ' ' N ' ' A' ' 71' ' ' GLU . 62.4 t90 -65.92 -60.84 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.516 ' CD1' ' CD2' ' A' ' 61' ' ' TYR . 40.1 mt -41.43 -52.95 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 109.312 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.03 -40.73 90.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 68' ' ' TRP . 0.2 OUTLIER -70.34 -10.77 59.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.336 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -142.6 42.67 1.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 11.9 pttp -82.27 -38.37 24.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.0 -29.39 43.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.96 -26.9 52.08 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.472 1.108 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.467 ' CD1' HG23 ' A' ' 69' ' ' ILE . 69.9 mt -72.59 123.1 26.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.757 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.0 m -140.46 141.06 35.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.967 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.843 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -97.14 112.72 24.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.955 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.457 ' N ' HD13 ' A' ' 79' ' ' ILE . 5.5 mm -85.1 91.21 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.611 HD13 HG22 ' A' ' 44' ' ' VAL . 0.7 OUTLIER -68.88 134.07 30.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -119.46 -47.73 2.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.7 ptt180 -163.82 156.15 15.1 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.295 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -178.32 4.09 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.502 1.791 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.473 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 47.6 m-85 -96.64 152.23 18.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -106.45 129.46 54.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 137.48 155.11 6.81 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -179.08 4.64 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.442 1.759 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -110.11 169.2 8.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 110.278 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.1 m -161.59 172.79 15.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.011 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 71.91 -63.38 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 93' ' ' GLY . 0.4 OUTLIER 63.68 81.54 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.262 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 65.1 -75.43 0.08 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.449 1.093 . . . . 0.0 110.988 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 91' ' ' LEU . . . 158.06 101.61 0.18 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.9 m -87.1 158.18 19.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 0.766 . . . . 0.0 110.02 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 174.5 99.03 0.12 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.565 1.166 . . . . 0.0 110.981 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 97.03 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.505 1.792 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 47.2 t -156.86 92.88 1.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.971 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.1 m -167.37 157.5 10.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.98 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.515 1.134 . . . . 0.0 111.027 -179.966 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.4 p -42.72 154.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 0.79 . . . . 0.0 110.014 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.7 p 178.62 -58.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 110.024 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.64 133.58 47.35 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.57 173.13 10.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 0.763 . . . . 0.0 110.019 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.3 m -103.39 127.77 50.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.042 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.83 -146.19 5.56 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.47 ' CD2' ' HG3' ' A' ' 67' ' ' LYS . 0.6 OUTLIER -62.45 -58.54 7.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 0.747 . . . . 0.0 109.271 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.1 mtm180 -40.25 -50.08 2.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.253 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 13' ' ' GLU . 5.7 mmtm -65.17 -52.37 55.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -42.93 -44.69 4.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.158 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.549 HG11 ' HB3' ' A' ' 58' ' ' PRO . 54.5 t -62.68 -42.83 97.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.474 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 1.7 mm-40 -68.07 -38.45 82.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.261 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' A' ' 14' ' ' ASP . 45.5 t0 -58.96 -32.9 70.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.422 ' O ' ' C ' ' A' ' 16' ' ' PHE . 58.8 t80 -74.81 -66.32 0.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.43 ' CE2' HG12 ' A' ' 12' ' ' VAL . 7.6 m-85 -36.35 -38.54 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 75.2 m -63.29 -61.18 2.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 108.325 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.49 -38.46 9.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.963 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 31.2 m -57.68 -65.95 0.55 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 108.31 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.613 ' O ' HD12 ' A' ' 24' ' ' LEU . 2.7 t80 -49.5 -36.96 24.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.517 ' O ' HG22 ' A' ' 26' ' ' THR . . . -71.41 -36.14 63.1 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.527 1.142 . . . . 0.0 110.956 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -73.14 -26.42 61.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.86 -46.07 13.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.613 HD12 ' O ' ' A' ' 20' ' ' TYR . 4.6 mt -57.79 -27.7 63.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.73 29.17 10.18 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.517 1.136 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.517 HG22 ' O ' ' A' ' 21' ' ' GLY . 7.7 t -105.83 170.35 7.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 110.4 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 43.9 m -110.74 13.9 22.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.141 . . . . 0.0 110.411 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.51 HG22 ' OG1' ' A' ' 26' ' ' THR . 16.2 m -124.88 -176.74 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 72.6 mtp -94.37 134.01 37.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.945 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.563 HG21 HD13 ' A' ' 24' ' ' LEU . 24.7 t -113.49 133.65 22.13 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 18.2 Cg_endo -75.01 99.69 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.518 1.799 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.816 HG11 ' CZ ' ' A' ' 55' ' ' PHE . 46.0 t -46.83 117.21 4.37 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.595 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.4 Cg_endo -74.99 84.2 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.464 1.77 . . . . 0.0 110.963 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.445 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 93.4 m-85 -61.25 -64.58 0.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -38.22 -39.03 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.445 ' HB3' ' CD2' ' A' ' 84' ' ' PHE . 18.5 mttm -67.66 -69.27 0.33 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 73.8 mtp -49.86 -46.19 51.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 16.3 mt -53.89 -45.05 70.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -68.5 -53.04 25.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 110.244 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -134.66 121.12 20.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -92.3 19.68 6.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.5 m -93.75 24.37 4.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 110.01 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -117.67 -52.31 2.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.72 HG11 ' CD2' ' A' ' 78' ' ' PHE . 5.2 t -135.7 153.18 32.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.1 t -120.28 142.0 38.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.526 HG21 ' CB ' ' A' ' 55' ' ' PHE . 71.8 t -101.82 137.7 28.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -144.13 129.02 18.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 110.346 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.16 32.15 3.58 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.412 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 6.8 mt -103.0 165.03 14.36 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.509 0.77 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.617 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.4 Cg_endo -74.99 170.01 21.37 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.504 1.792 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.596 ' O ' HG23 ' A' ' 53' ' ' VAL . 2.8 tt0 -66.6 137.7 56.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 110.261 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 50.82 46.08 48.85 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.617 HG11 ' HG2' ' A' ' 50' ' ' PRO . 77.9 t -140.23 129.09 26.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 0.0 109.282 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -98.03 171.7 8.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.816 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 28.9 t80 -84.22 12.32 6.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 111.049 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -47.62 163.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 110.306 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.455 ' ND1' ' OE1' ' A' ' 59' ' ' GLU . 1.7 t-80 -41.06 143.49 0.74 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.617 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.691 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -75.0 -28.63 9.01 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.48 1.779 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.455 ' OE1' ' ND1' ' A' ' 57' ' ' HIS . 9.9 pt-20 -49.91 -21.33 1.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 61' ' ' TYR . 54.0 m-80 -88.65 -48.26 7.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.691 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.9 m-30 -37.38 144.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.408 ' C ' ' N ' ' A' ' 64' ' ' ALA . 1.5 m-20 -77.84 148.05 34.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.8 tp -40.14 -32.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.408 ' N ' ' C ' ' A' ' 62' ' ' ASP . . . -70.6 -59.98 2.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 76.6 m -49.89 -49.66 48.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.384 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.416 ' CD2' HG21 ' A' ' 12' ' ' VAL . 47.1 mt -49.12 -53.46 20.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.47 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -66.71 -28.49 68.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.352 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 66.9 t90 -67.24 -60.27 2.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 108.051 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.85 HG23 ' CD1' ' A' ' 76' ' ' ILE . 58.5 mt -44.31 -50.53 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.0 mt -60.74 -43.73 97.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -18.57 65.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -137.51 46.86 2.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.237 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 76' ' ' ILE . 1.0 OUTLIER -80.4 -43.27 21.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.91 -22.55 2.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.8 -26.89 36.44 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.85 ' CD1' HG23 ' A' ' 69' ' ' ILE . 40.5 mt -72.28 124.32 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 109.255 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.0 m -142.31 137.2 30.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.965 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.72 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -93.83 102.88 15.01 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.456 ' N ' HD13 ' A' ' 79' ' ' ILE . 5.1 mm -81.48 89.65 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.689 ' CD1' HG22 ' A' ' 44' ' ' VAL . 1.2 mm -61.75 155.45 4.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -138.71 -47.64 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.83 156.83 19.94 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 110.274 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 175.63 10.99 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.455 1.766 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.445 ' CD2' ' HB3' ' A' ' 36' ' ' LYS . 26.4 m-85 -94.5 17.89 12.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.3 mt 69.5 103.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 121.0 155.92 9.67 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.5 1.125 . . . . 0.0 110.96 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 167.48 26.95 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.518 1.799 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -134.85 135.83 41.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 110.288 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.7 p 176.35 101.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.946 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -140.55 122.87 15.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.337 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.0 tt -111.51 145.62 38.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -134.69 -173.48 13.13 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.477 1.11 . . . . 0.0 111.017 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 116.8 103.52 2.31 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 11.5 t -172.08 77.56 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 0.77 . . . . 0.0 110.009 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -118.71 109.52 1.76 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.515 1.134 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -176.18 2.74 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.507 1.793 . . . . 0.0 111.024 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 20.4 p -166.25 157.63 13.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.021 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.87 152.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.993 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.0 p -88.67 97.59 11.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 0.757 . . . . 0.0 110.008 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m 45.43 94.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.013 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.77 90.96 0.15 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.32 105.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 0.0 110.015 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.51 148.75 23.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.989 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.41 ' O ' ' HB2' ' A' ' 11' ' ' ALA . . . -86.05 -156.52 27.86 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.442 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 0.5 OUTLIER -94.37 -66.64 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 8' ' ' LEU . 9.7 ttp180 -38.21 -54.06 1.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.338 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -59.97 -47.08 87.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 8' ' ' LEU . . . -48.18 -44.46 32.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.439 HG12 ' CE2' ' A' ' 16' ' ' PHE . 78.6 t -63.93 -38.5 82.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.473 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 1.8 mt-10 -70.79 -39.76 72.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -67.02 -19.99 65.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 33.1 t80 -85.34 -64.39 1.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 111.023 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.439 ' CE2' HG12 ' A' ' 12' ' ' VAL . 4.4 m-85 -37.23 -34.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 75.2 m -66.69 -66.28 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.416 1.072 . . . . 0.0 108.266 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -38.49 -32.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 111.039 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.9 m -67.55 -67.86 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 108.255 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.58 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 4.9 t80 -45.72 -33.46 3.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.415 ' O ' HG22 ' A' ' 26' ' ' THR . . . -74.53 -36.19 49.75 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -71.27 -25.03 62.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.7 -44.92 12.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.618 HD13 HG21 ' A' ' 30' ' ' VAL . 6.3 mt -57.94 -29.17 64.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.1 28.22 10.14 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.514 1.133 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.512 ' OG1' HG22 ' A' ' 28' ' ' VAL . 7.7 t -105.76 168.79 8.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 0.744 . . . . 0.0 110.371 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 36.0 p -110.06 16.83 21.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 110.413 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.512 HG22 ' OG1' ' A' ' 26' ' ' THR . 15.6 m -128.2 -173.02 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 71.5 mtp -97.91 133.12 42.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 111.039 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.618 HG21 HD13 ' A' ' 24' ' ' LEU . 43.9 t -111.64 135.08 21.12 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 18.2 Cg_endo -74.91 99.97 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.471 1.774 . . . . 0.0 110.984 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.796 HG11 ' CZ ' ' A' ' 55' ' ' PHE . 55.9 t -46.43 115.35 3.09 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.58 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -74.98 82.26 2.04 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.481 1.78 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.433 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 95.7 m-85 -58.12 -66.67 0.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 34' ' ' TYR . 2.6 tp10 -36.58 -41.45 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.354 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.462 ' HB3' ' CD2' ' A' ' 84' ' ' PHE . 59.1 mttt -66.85 -68.82 0.35 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.43 ' HE3' ' CE2' ' A' ' 78' ' ' PHE . 77.9 mtp -47.6 -44.24 26.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 111.05 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.0 mt -59.5 -44.39 93.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.331 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -53.2 35.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -132.57 124.29 28.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -95.34 19.26 11.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -96.58 27.82 3.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -119.62 -57.97 1.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.349 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.883 HG11 ' CD2' ' A' ' 78' ' ' PHE . 10.5 t -133.31 151.48 33.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.0 t -118.94 150.44 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.567 HG21 ' CB ' ' A' ' 55' ' ' PHE . 76.2 t -109.45 137.19 42.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.332 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -144.33 126.72 15.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.3 30.0 3.27 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.526 1.141 . . . . 0.0 110.971 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.417 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 8.3 mt -100.8 165.02 15.03 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.767 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.47 ' HG2' HG21 ' A' ' 53' ' ' VAL . 18.5 Cg_endo -74.97 161.9 38.08 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.5 1.79 . . . . 0.0 111.046 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -63.08 131.64 49.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.333 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 62.3 47.51 89.14 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.442 1.088 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.47 HG21 ' HG2' ' A' ' 50' ' ' PRO . 97.8 t -146.4 141.28 21.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 0.773 . . . . 0.0 109.255 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -109.7 175.21 5.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.796 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 39.8 t80 -86.31 15.33 5.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -50.3 164.22 0.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.467 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.6 t-80 -43.61 145.59 1.11 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.548 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.687 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.1 Cg_endo -75.02 -32.17 5.58 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.442 1.759 . . . . 0.0 110.956 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.59 -23.68 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 110.253 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 61' ' ' TYR . 47.6 m-80 -86.39 -49.39 7.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.687 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.2 m-30 -37.59 135.78 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.433 ' C ' ' N ' ' A' ' 64' ' ' ALA . 0.7 OUTLIER -70.24 146.46 50.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 62' ' ' ASP . 15.9 tp -39.49 -30.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 62' ' ' ASP . . . -72.59 -57.0 4.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 52.7 m -52.14 -48.3 64.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.115 . . . . 0.0 110.419 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 43.6 mt -50.14 -54.38 21.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -30.42 71.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.251 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 58.7 t90 -66.26 -57.28 7.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 107.994 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.818 HG23 ' CD1' ' A' ' 76' ' ' ILE . 80.4 mt -46.26 -52.04 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.439 ' CD1' HD23 ' A' ' 8' ' ' LEU . 70.9 mt -59.39 -42.51 91.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.9 -17.88 65.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -138.41 47.85 1.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 1.4 ptmm? -83.16 -44.15 15.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.17 -26.43 4.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.55 -29.54 43.55 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.818 ' CD1' HG23 ' A' ' 69' ' ' ILE . 66.4 mt -72.19 117.46 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.434 0.726 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.7 m -133.51 142.45 48.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.995 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.883 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -97.73 110.02 22.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 110.962 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.454 ' N ' HD13 ' A' ' 79' ' ' ILE . 5.3 mm -83.92 89.47 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.495 HD13 HG22 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -67.53 147.87 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -134.64 -51.61 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.9 ptt180 -156.73 156.03 29.34 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 176.07 10.41 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.518 1.799 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.462 ' CD2' ' HB3' ' A' ' 36' ' ' LYS . 23.3 m-85 -92.17 18.73 7.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 62.26 75.07 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -176.43 169.29 41.77 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 174.15 13.28 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.509 1.794 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.63 93.89 4.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.32 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.83 115.03 8.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.03 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -101.03 106.74 18.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.293 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.9 tp -93.72 103.26 15.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -102.56 79.91 0.35 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.485 1.115 . . . . 0.0 110.991 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -95.07 -174.35 37.68 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 60.5 m -148.11 157.02 43.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 109.981 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -134.82 151.93 20.56 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.46 1.1 . . . . 0.0 110.935 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 170.47 20.33 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.49 1.784 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.9 p -124.66 142.62 51.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.012 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.06 165.52 13.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 179.989 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.6 m -62.97 -59.18 5.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 109.956 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 t -177.19 83.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.982 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.57 89.88 0.1 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.47 1.107 . . . . 0.0 111.012 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.07 123.85 7.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 0.765 . . . . 0.0 109.996 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.5 m -116.44 109.12 16.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 110.006 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.52 -159.18 7.93 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.483 HD23 ' CD1' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -83.77 -63.29 1.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 0.753 . . . . 0.0 109.332 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.491 ' CD ' ' HA ' ' A' ' 59' ' ' GLU . 5.1 ttp180 -39.96 -32.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 110.306 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 13' ' ' GLU . 0.5 OUTLIER -83.39 -50.58 8.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -43.87 -51.42 7.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.569 HG11 ' HB3' ' A' ' 58' ' ' PRO . 57.2 t -52.42 -38.3 25.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.473 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 2.8 mt-10 -73.54 -37.17 65.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.4 -16.74 64.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.524 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 45.2 t80 -89.74 -64.47 1.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.424 ' CD1' ' HE1' ' A' ' 55' ' ' PHE . 6.2 m-85 -37.89 -42.52 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.138 . . . . 0.0 110.994 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 83.4 m -60.47 -58.53 8.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 108.275 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -47.47 -35.81 9.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 13.5 m -65.13 -62.92 1.26 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 108.304 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.587 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 5.0 t80 -49.15 -41.15 35.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.406 ' O ' HG22 ' A' ' 26' ' ' THR . . . -66.59 -41.06 94.25 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.476 1.11 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -67.1 -27.6 67.48 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.517 0.775 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.63 -44.75 15.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.579 HD13 HG21 ' A' ' 30' ' ' VAL . 5.8 mt -58.26 -27.31 63.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.65 23.08 19.52 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.115 . . . . 0.0 110.969 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.454 ' OG1' HG22 ' A' ' 28' ' ' VAL . 14.9 t -102.17 153.04 20.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 0.753 . . . . 0.0 110.429 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 27' ' ' THR . 74.7 m -93.96 23.76 4.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 110.392 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.454 HG22 ' OG1' ' A' ' 26' ' ' THR . 16.5 m -139.23 -179.45 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 76.7 mtp -91.67 137.05 32.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.579 HG21 HD13 ' A' ' 24' ' ' LEU . 59.8 t -115.27 139.01 23.95 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.471 ' HD2' HG13 ' A' ' 30' ' ' VAL . 18.3 Cg_endo -75.03 104.66 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.471 1.774 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.78 HG11 ' CZ ' ' A' ' 55' ' ' PHE . 54.3 t -50.98 116.31 7.08 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.587 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -74.99 78.51 2.87 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.532 1.806 . . . . 0.0 110.993 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.478 ' O ' ' C ' ' A' ' 35' ' ' GLU . 91.9 m-85 -55.13 -70.07 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' A' ' 34' ' ' TYR . 0.7 OUTLIER -32.69 -46.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.257 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 39' ' ' ARG . 30.7 mttt -62.95 -67.73 0.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 87.9 mtp -46.59 -35.97 6.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.8 mt -70.64 -33.72 71.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -74.92 -48.32 25.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -143.49 117.92 9.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -88.98 19.47 4.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.16 27.11 2.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.038 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -121.09 -59.82 1.69 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.891 HG11 ' CD2' ' A' ' 78' ' ' PHE . 4.7 t -126.53 151.2 32.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.348 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 64.0 t -121.35 141.72 40.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.532 HG21 ' CB ' ' A' ' 55' ' ' PHE . 74.3 t -100.64 138.85 23.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -146.07 127.17 14.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.3 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.26 32.04 3.11 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.132 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.42 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 8.7 mt -102.78 165.13 14.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.477 0.751 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.659 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.4 Cg_endo -75.02 168.59 24.49 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.499 1.789 . . . . 0.0 110.972 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.779 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -63.19 142.54 58.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 45.52 46.23 12.17 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 51' ' ' GLU . 71.2 t -137.93 134.18 45.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.758 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -103.76 172.88 6.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 109.259 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.78 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 32.6 t80 -86.02 13.97 6.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 57' ' ' HIS . 13.3 pt20 -48.18 159.8 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.462 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.6 t-80 -39.45 145.44 0.42 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.602 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.696 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.1 Cg_endo -75.04 -31.07 6.46 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.497 1.788 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.491 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 1.4 pp20? -47.83 -23.04 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 110.291 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 61' ' ' TYR . 46.6 m-80 -86.34 -50.0 7.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.696 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.7 m-30 -37.16 143.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 63' ' ' LEU . 0.6 OUTLIER -78.17 150.51 33.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 62' ' ' ASP . 3.7 tp -39.99 -38.63 0.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.433 1.083 . . . . 0.0 109.268 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.35 -54.51 19.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 88.3 m -54.53 -49.15 70.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 110.428 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 46.6 mt -51.3 -52.75 42.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.96 -28.8 68.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.271 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 55.2 t90 -66.07 -58.01 6.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 108.029 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.828 HG23 ' CD1' ' A' ' 76' ' ' ILE . 72.8 mt -46.73 -51.07 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.483 ' CD1' HD23 ' A' ' 8' ' ' LEU . 89.3 mt -59.07 -43.73 91.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.81 -18.05 65.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -135.19 45.18 2.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 1.5 ptmm? -83.32 -41.22 18.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.24 -26.2 6.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.318 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -83.36 -27.66 39.02 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.462 1.101 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.828 ' CD1' HG23 ' A' ' 69' ' ' ILE . 66.2 mt -72.27 123.33 26.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.4 m -141.1 139.05 33.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.976 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.891 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -95.4 104.85 16.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.972 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.522 ' N ' HD13 ' A' ' 79' ' ' ILE . 4.1 mm -80.38 92.19 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.489 HD13 ' HA ' ' A' ' 80' ' ' ILE . 0.4 OUTLIER -69.14 151.43 10.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -137.69 -47.38 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -159.52 156.91 26.09 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 176.34 10.05 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.53 1.805 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.407 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 10.0 m-85 -92.73 16.41 12.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.1 mp 66.8 97.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 149.04 165.18 12.07 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.519 1.137 . . . . 0.0 110.964 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 179.24 6.28 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.493 1.786 . . . . 0.0 110.96 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -133.92 113.72 12.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.326 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.89 160.16 8.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.993 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -162.64 117.12 1.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.267 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.5 tp -127.07 130.34 49.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -136.92 93.92 0.22 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.556 1.16 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -122.56 150.13 16.92 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.0 151.44 0.25 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 0.778 . . . . 0.0 110.016 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -137.34 155.51 22.96 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.453 1.095 . . . . 0.0 110.984 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -175.9 2.61 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.518 1.799 . . . . 0.0 111.002 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.48 -56.33 3.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.021 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.24 153.17 0.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.0 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.974 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.91 141.94 25.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 0.738 . . . . 0.0 109.996 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.44 110.8 19.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.969 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.17 -149.33 7.18 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.551 1.157 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.8 p -138.81 82.13 1.88 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 0.735 . . . . 0.0 110.05 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.87 84.95 7.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 109.996 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.47 -69.8 0.17 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.477 1.111 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.447 HD23 HD12 ' A' ' 70' ' ' LEU . 0.4 OUTLIER -63.69 -66.59 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 0.0 109.311 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.409 ' HD2' ' CB ' ' A' ' 59' ' ' GLU . 8.9 ttp180 -38.08 -52.1 1.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.294 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 39.0 mmtt -57.61 -53.36 59.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -45.68 -44.54 13.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.548 HG12 ' CE2' ' A' ' 16' ' ' PHE . 91.4 t -61.72 -43.21 96.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.072 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.474 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 1.7 mt-10 -67.06 -43.04 83.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -58.82 -34.59 71.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 73' ' ' LYS . 69.1 t80 -71.04 -64.69 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.548 ' CE2' HG12 ' A' ' 12' ' ' VAL . 6.2 m-85 -36.02 -37.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 79.4 m -64.49 -63.28 1.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 108.309 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -41.42 -38.17 1.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.408 ' O ' ' N ' ' A' ' 22' ' ' LYS . 20.9 m -62.12 -69.16 0.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 108.278 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.587 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 5.0 t80 -41.71 -44.05 3.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.424 ' HA2' HG21 ' A' ' 30' ' ' VAL . . . -62.61 -40.14 98.77 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.436 1.085 . . . . 0.0 111.028 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 19' ' ' CYS . 9.1 mttt -68.38 -24.02 64.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 0.74 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.3 -48.69 10.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.541 HD11 ' CD2' ' A' ' 20' ' ' TYR . 2.3 mt -57.63 -30.6 65.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.61 -15.91 10.51 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.538 ' OG1' HG22 ' A' ' 28' ' ' VAL . 8.8 t -77.75 174.3 11.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 0.75 . . . . 0.0 110.38 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 88.7 m -121.64 2.72 10.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.401 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.538 HG22 ' OG1' ' A' ' 26' ' ' THR . 35.1 m -91.45 -169.73 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.6 mtm -100.9 109.1 21.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 110.98 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.498 HG11 ' CD1' ' A' ' 24' ' ' LEU . 10.7 t -91.65 135.72 27.4 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 32' ' ' VAL . 18.3 Cg_endo -74.97 91.2 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.533 1.807 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.846 HG11 ' HZ ' ' A' ' 55' ' ' PHE . 51.7 t -39.9 115.51 1.09 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.587 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -74.99 84.23 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.559 1.82 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.492 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 81.5 m-85 -60.51 -63.51 1.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.96 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -37.77 -39.07 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.334 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.56 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 14.8 mttm -69.6 -68.79 0.38 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.532 ' CE ' ' CZ ' ' A' ' 78' ' ' PHE . 70.1 mtp -48.81 -45.17 39.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.978 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 26.5 mt -56.92 -49.13 76.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -63.72 -51.74 63.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.334 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -135.9 124.33 23.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -94.3 17.71 12.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.262 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.15 28.57 2.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.01 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -121.77 -55.81 1.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.779 HG11 ' CD2' ' A' ' 78' ' ' PHE . 13.1 t -131.07 146.14 34.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.0 t -112.28 152.07 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.477 HG21 ' CB ' ' A' ' 55' ' ' PHE . 77.0 t -113.41 135.71 52.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -143.34 127.28 17.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 110.308 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.77 32.77 2.8 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 0.0 110.953 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 49' ' ' LEU . 7.0 mt -103.76 165.28 13.76 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.528 0.781 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.609 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.2 Cg_endo -75.03 168.9 23.8 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.501 1.79 . . . . 0.0 110.935 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.58 ' O ' HG23 ' A' ' 53' ' ' VAL . 2.1 tt0 -66.27 136.99 56.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 52.23 45.69 57.54 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.126 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.609 HG11 ' HG2' ' A' ' 50' ' ' PRO . 70.3 t -140.75 130.8 27.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.555 0.797 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -98.39 173.75 6.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.846 ' HZ ' HG11 ' A' ' 32' ' ' VAL . 29.3 t80 -85.46 13.85 6.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -47.04 167.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.4 ' ND1' ' HD2' ' A' ' 58' ' ' PRO . 1.7 t-80 -47.27 143.0 5.36 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.613 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.669 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -75.02 -26.37 10.95 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.409 ' CB ' ' HD2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -52.81 -19.43 2.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 0.0 110.31 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 61' ' ' TYR . 9.0 m120 -91.87 -47.89 7.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.669 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 17.9 m-30 -35.85 143.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 63' ' ' LEU . 1.2 m-20 -78.29 151.5 32.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.373 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 62' ' ' ASP . 11.3 tp -39.61 -46.12 1.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 68' ' ' TRP . . . -60.02 -57.06 14.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 87.2 m -50.96 -53.06 36.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.365 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 46.0 mt -48.07 -52.51 19.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.268 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.446 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -68.17 -28.71 67.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.443 ' N ' ' O ' ' A' ' 64' ' ' ALA . 56.4 t90 -65.55 -57.89 7.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 108.052 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.735 HG23 ' CD1' ' A' ' 76' ' ' ILE . 50.9 mt -47.26 -47.14 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.447 HD12 HD23 ' A' ' 8' ' ' LEU . 84.3 mt -64.16 -40.47 96.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.59 -13.93 62.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -141.03 43.74 1.8 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.572 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . 12.8 pttp -80.91 -42.14 21.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.6 -23.5 2.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -86.39 -25.44 36.32 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.735 ' CD1' HG23 ' A' ' 69' ' ' ILE . 39.7 mt -71.99 121.69 22.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 0.774 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.9 m -141.53 136.73 31.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.988 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.779 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -91.8 106.03 18.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 111.01 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.44 ' N ' HD13 ' A' ' 79' ' ' ILE . 5.7 mm -84.01 95.56 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.729 ' CD1' HG22 ' A' ' 44' ' ' VAL . 1.6 mm -69.61 154.97 7.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -137.28 -48.0 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.98 156.65 15.24 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 177.11 9.04 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.502 1.79 . . . . 0.0 110.978 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.56 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 52.1 m-85 -93.56 163.22 13.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 111.007 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.6 mp -95.84 123.19 39.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 166.65 160.9 14.56 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.528 1.142 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 175.74 10.81 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.504 1.791 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -132.47 169.57 16.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.7 106.38 0.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.015 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -121.98 89.75 3.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 110.289 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.26 139.05 53.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 174.46 175.34 41.94 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 110.51 159.6 16.96 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.46 134.62 1.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 109.972 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -113.29 96.85 0.83 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.115 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -177.77 3.7 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.509 1.794 . . . . 0.0 111.039 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.5 p -166.65 159.36 14.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.945 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 35.3 t -165.38 -59.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.983 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.457 1.098 . . . . 0.0 110.97 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 m -161.27 127.77 3.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.756 . . . . 0.0 109.989 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 m -52.27 149.29 5.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.983 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.15 113.67 1.29 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.88 154.65 36.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 0.767 . . . . 0.0 110.034 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.14 140.43 6.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.043 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.04 -177.86 33.71 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.472 HD22 ' HD2' ' A' ' 67' ' ' LYS . 0.5 OUTLIER -65.08 -67.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 0.772 . . . . 0.0 109.314 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 8' ' ' LEU . 2.3 ttm180 -38.57 -40.72 0.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 13' ' ' GLU . 24.6 tptt -75.25 -49.17 20.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.098 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -42.59 -52.89 4.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.525 HG12 ' CE2' ' A' ' 16' ' ' PHE . 47.9 t -53.43 -41.27 44.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.469 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 2.6 mt-10 -69.58 -36.73 76.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.426 ' O ' ' HE3' ' A' ' 29' ' ' MET . 9.8 t70 -66.83 -23.02 65.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 42.5 t80 -84.65 -63.78 1.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.525 ' CE2' HG12 ' A' ' 12' ' ' VAL . 5.9 m-85 -36.19 -38.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.977 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 71.7 m -60.26 -64.51 0.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 108.286 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -41.84 -37.68 1.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.3 m -62.94 -63.59 1.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 108.284 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.57 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 4.9 t80 -47.59 -32.84 5.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.83 -37.68 50.67 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.558 1.161 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -67.99 -23.72 65.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 0.735 . . . . 0.0 109.266 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.788 ' HB1' ' HB ' ' A' ' 80' ' ' ILE . . . -88.15 -45.38 10.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.633 HD13 HG21 ' A' ' 30' ' ' VAL . 6.0 mt -57.58 -25.21 59.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.09 28.06 19.08 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.446 1.091 . . . . 0.0 110.958 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.453 ' OG1' HG22 ' A' ' 28' ' ' VAL . 7.9 t -104.83 172.83 6.58 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.51 0.771 . . . . 0.0 110.385 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.595 HG22 ' O ' ' A' ' 27' ' ' THR . 18.2 m -113.84 19.18 16.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.385 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.453 HG22 ' OG1' ' A' ' 26' ' ' THR . 18.5 m -132.17 -175.98 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.247 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.426 ' HE3' ' O ' ' A' ' 14' ' ' ASP . 79.2 mtp -95.65 130.25 42.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 110.979 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.633 HG21 HD13 ' A' ' 24' ' ' LEU . 52.7 t -111.02 134.45 21.01 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 18.2 Cg_endo -74.99 107.88 2.59 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.546 1.814 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.724 HG11 ' CZ ' ' A' ' 55' ' ' PHE . 48.4 t -50.79 114.67 4.93 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.57 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -75.02 77.93 3.02 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.774 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.541 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 92.8 m-85 -56.81 -61.97 2.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 34' ' ' TYR . 1.8 tp10 -37.54 -34.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -77.98 -69.13 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.597 1.185 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 14.1 mmm -47.47 -48.65 26.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 110.962 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 38' ' ' LEU . 14.9 mt -49.66 -37.05 26.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.0 mtt180 -76.59 -49.37 16.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -137.3 117.76 13.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.578 1.174 . . . . 0.0 109.253 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -88.92 20.27 3.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.59 25.77 3.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.138 . . . . 0.0 109.959 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -113.76 -57.63 2.26 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.847 HG11 ' CD2' ' A' ' 78' ' ' PHE . 14.1 t -129.43 149.54 33.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.3 t -112.14 147.31 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.572 HG21 ' CB ' ' A' ' 55' ' ' PHE . 76.8 t -108.93 135.52 47.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.256 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -144.12 128.06 17.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.72 30.83 3.61 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.127 . . . . 0.0 111.008 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 49' ' ' LEU . 8.5 mt -101.29 164.93 15.04 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.474 0.75 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.504 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.4 Cg_endo -74.95 157.79 42.77 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.458 1.768 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -58.1 131.54 50.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.272 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 59.37 50.23 70.0 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.534 1.146 . . . . 0.0 111.033 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.504 HG11 ' HG2' ' A' ' 50' ' ' PRO . 92.4 t -147.76 127.61 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.444 0.732 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -95.52 175.25 6.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.724 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 31.1 t80 -87.9 14.61 8.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 111.049 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -48.17 161.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.283 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.414 ' ND1' ' HD2' ' A' ' 58' ' ' PRO . 1.7 t-80 -40.63 143.25 0.7 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.624 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.696 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -74.97 -27.57 9.96 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.496 1.787 . . . . 0.0 110.96 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -20.37 2.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.259 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 61' ' ' TYR . 48.8 m-80 -89.24 -48.72 7.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.696 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.8 m-30 -36.89 144.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.949 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 63' ' ' LEU . 6.6 m-20 -78.86 151.82 31.61 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.433 1.083 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 62' ' ' ASP . 3.7 tp -39.74 -41.31 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.097 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.2 -62.06 1.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.36 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 83.6 m -46.61 -50.01 18.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 110.375 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 46.1 mt -51.03 -57.26 9.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.472 ' HD2' HD22 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -62.94 -29.8 71.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.16 . . . . 0.0 109.269 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.414 ' O ' ' N ' ' A' ' 71' ' ' GLU . 64.6 t90 -66.28 -59.81 3.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 108.005 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.516 HD11 ' CE2' ' A' ' 61' ' ' TYR . 42.1 mt -41.62 -54.57 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 42.5 mt -59.0 -41.53 87.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 68' ' ' TRP . 0.1 OUTLIER -69.62 -11.35 60.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 110.261 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -143.84 46.32 1.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 9.7 pttp -86.4 -40.38 15.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.47 -27.65 4.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -83.93 -26.62 40.66 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.503 1.127 . . . . 0.0 110.962 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.479 HD12 HG23 ' A' ' 69' ' ' ILE . 57.9 mt -72.37 124.47 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 0.779 . . . . 0.0 109.308 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.7 m -140.5 138.27 34.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.959 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.847 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -94.4 102.44 14.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.425 ' N ' HD13 ' A' ' 79' ' ' ILE . 5.9 mm -80.27 87.69 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.788 ' HB ' ' HB1' ' A' ' 23' ' ' ALA . 0.3 OUTLIER -60.95 129.89 24.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.272 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -111.25 -43.22 3.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.233 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.76 156.41 5.01 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -174.93 2.12 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.469 1.773 . . . . 0.0 110.984 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.5 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 18.8 m-85 -102.22 165.63 11.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 16.4 mt -50.17 151.37 2.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -46.77 157.25 0.53 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 143.56 29.36 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.511 1.795 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -178.98 97.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.69 168.06 0.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.038 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -175.89 139.37 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.0 tp -139.59 162.76 34.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -166.34 87.61 0.1 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.485 1.116 . . . . 0.0 111.049 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 151.84 115.77 0.67 Allowed Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.22 161.82 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 0.741 . . . . 0.0 109.978 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 133.0 95.84 0.59 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.526 1.141 . . . . 0.0 110.958 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -178.68 4.34 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.433 1.754 . . . . 0.0 111.017 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 59.9 p -166.69 122.67 1.19 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 56.66 166.35 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.0 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.554 1.159 . . . . 0.0 110.987 179.996 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.79 144.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 0.75 . . . . 0.0 109.963 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.92 -58.74 0.35 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 110.001 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.16 143.44 6.0 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.507 1.129 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.04 145.08 2.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 110.046 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.8 p -149.07 126.42 11.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.006 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.46 155.19 26.45 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.439 ' CD2' ' HG3' ' A' ' 67' ' ' LYS . 0.6 OUTLIER -68.03 -65.49 0.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 0.733 . . . . 0.0 109.333 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 8' ' ' LEU . 5.1 mtm180 -38.67 -43.78 0.93 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -72.84 -52.46 14.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -43.33 -48.6 6.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.501 HG11 ' HB3' ' A' ' 58' ' ' PRO . 63.7 t -58.28 -40.85 79.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.475 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 2.6 mt-10 -69.17 -40.76 77.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.327 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -61.92 -29.96 70.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.517 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 44.2 t80 -75.39 -66.04 0.82 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.433 ' CD1' ' HE1' ' A' ' 55' ' ' PHE . 6.1 m-85 -36.03 -39.73 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 98.5 m -61.45 -57.95 10.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 108.315 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.437 ' N ' ' O ' ' A' ' 15' ' ' TYR . 1.9 t80 -47.76 -36.06 10.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 0.0 111.064 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.5 m -64.81 -64.57 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 108.263 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.581 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 4.9 t80 -46.99 -40.96 15.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.967 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.48 -40.42 94.33 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 110.989 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.8 mtpt -66.44 -25.08 66.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 0.776 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.58 -43.29 13.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.578 1.174 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.572 HD11 ' CD2' ' A' ' 20' ' ' TYR . 4.5 mt -62.27 -27.51 69.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.43 34.75 6.51 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.594 ' OG1' HG22 ' A' ' 28' ' ' VAL . 9.4 t -112.35 158.86 19.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 0.762 . . . . 0.0 110.397 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 28.8 p -100.53 17.53 21.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.372 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.594 HG22 ' OG1' ' A' ' 26' ' ' THR . 27.5 m -128.57 -173.48 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 6.1 mtm -99.12 130.93 45.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.514 HG21 HD13 ' A' ' 24' ' ' LEU . 25.9 t -109.42 133.11 20.93 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 18.4 Cg_endo -75.02 100.0 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.499 1.789 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.743 HG11 ' CZ ' ' A' ' 55' ' ' PHE . 55.7 t -44.41 116.0 2.45 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.581 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -74.93 80.94 2.3 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.511 1.795 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.501 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 96.8 m-85 -59.51 -62.37 1.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 34' ' ' TYR . 4.6 tt0 -37.32 -35.38 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.0 mttm -76.24 -69.43 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 18.9 mmm -47.05 -45.22 21.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 38' ' ' LEU . 14.0 mt -53.65 -40.0 65.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -73.71 -51.68 15.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -131.69 118.38 19.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -92.38 17.89 9.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.7 m -95.41 26.91 3.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.011 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -113.54 -63.7 1.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.912 HG11 ' CD2' ' A' ' 78' ' ' PHE . 7.2 t -123.73 143.46 36.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.8 t -106.66 145.89 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.564 HG21 ' CB ' ' A' ' 55' ' ' PHE . 70.9 t -107.85 135.18 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -143.18 127.55 17.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 110.337 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.4 27.97 4.24 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.11 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.417 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 8.4 mt -99.62 165.3 14.95 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.62 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.3 Cg_endo -75.02 175.09 11.7 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.519 1.8 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 1.028 ' O ' HG23 ' A' ' 53' ' ' VAL . 7.4 tt0 -66.51 146.06 54.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 110.31 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 40.28 45.98 3.34 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.462 1.101 . . . . 0.0 111.02 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 1.028 HG23 ' O ' ' A' ' 51' ' ' GLU . 88.2 t -136.47 132.55 48.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.765 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -102.33 177.68 4.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.743 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 37.7 t80 -89.58 14.46 11.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -48.7 162.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.447 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.7 t-80 -42.44 145.02 0.87 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.584 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.699 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -75.05 -29.12 8.49 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.482 1.78 . . . . 0.0 110.99 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.93 -20.92 1.49 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -88.6 -49.32 6.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.699 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.6 m-30 -37.66 140.77 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.422 ' C ' ' N ' ' A' ' 64' ' ' ALA . 2.1 m-20 -73.47 146.36 45.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.1 tp -39.91 -31.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.422 ' N ' ' C ' ' A' ' 62' ' ' ASP . . . -71.18 -56.57 5.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 51.6 m -52.88 -50.6 63.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.405 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 40.7 mt -47.46 -51.27 20.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.439 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -66.18 -34.12 77.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 57.5 t90 -62.58 -57.3 11.58 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.52 ' CD1' ' CE2' ' A' ' 61' ' ' TYR . 44.1 mt -44.61 -53.84 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.419 ' CD1' HD23 ' A' ' 8' ' ' LEU . 52.9 mt -59.66 -40.57 88.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.36 -12.25 61.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.339 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -142.68 45.39 1.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.517 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 11.5 pttp -84.18 -42.94 15.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.98 -25.34 4.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.02 -26.85 39.41 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.457 ' CD1' HG23 ' A' ' 69' ' ' ILE . 71.2 mt -72.89 124.33 29.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.5 p -138.56 139.52 38.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.002 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.912 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -95.36 102.42 14.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 111.007 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.417 ' N ' HD13 ' A' ' 79' ' ' ILE . 6.0 mm -80.94 88.87 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.533 ' CD1' HG22 ' A' ' 44' ' ' VAL . 0.4 OUTLIER -60.35 137.45 22.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -121.04 -49.67 2.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.17 155.81 15.98 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 178.61 7.03 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.494 1.786 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.472 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 53.5 m-85 -93.16 164.01 13.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.6 mt -99.94 121.18 40.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 126.13 163.32 11.51 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 168.19 25.38 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.542 1.812 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -116.79 91.33 3.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.338 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.18 -62.7 0.46 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.119 . . . . 0.0 110.021 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 50.4 80.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 64.09 171.81 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -116.05 -89.39 1.53 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.449 1.093 . . . . 0.0 111.027 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -171.13 158.85 30.53 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 79.0 p -116.7 163.94 15.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 0.768 . . . . 0.0 109.978 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 173.71 111.83 0.27 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.551 1.157 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -51.86 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.49 1.784 . . . . 0.0 110.967 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.9 121.85 8.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.977 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.7 m -67.54 133.96 50.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.001 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.483 1.114 . . . . 0.0 110.986 -180.0 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m 72.0 -59.66 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.754 . . . . 0.0 110.027 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.4 p 59.43 114.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.017 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.95 -133.81 3.82 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.46 1.1 . . . . 0.0 110.976 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.57 98.17 0.79 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 0.78 . . . . 0.0 109.984 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -175.28 109.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.034 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.486 ' O ' ' HB2' ' A' ' 11' ' ' ALA . . . 129.61 164.31 11.38 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.492 1.12 . . . . 0.0 111.039 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.455 ' CD2' ' HG3' ' A' ' 67' ' ' LYS . 0.4 OUTLIER -95.36 -70.32 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.747 . . . . 0.0 109.266 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.472 ' CD ' ' HA ' ' A' ' 59' ' ' GLU . 9.5 ttm180 -38.6 -43.59 0.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.293 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 11' ' ' ALA . 0.5 OUTLIER -69.53 -55.1 11.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 7' ' ' GLY . . . -39.76 -49.27 2.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.562 HG11 ' HB3' ' A' ' 58' ' ' PRO . 21.2 t -49.57 -56.61 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.247 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.466 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 3.3 mt-10 -53.39 -34.16 56.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.237 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.09 -16.32 61.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 1.002 ' OH ' HG21 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -91.44 -54.46 3.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.118 . . . . 0.0 111.015 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.599 ' N ' ' CG ' ' A' ' 15' ' ' TYR . 3.6 m-85 -45.85 -24.68 0.42 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 95.0 m -74.5 -57.64 3.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 108.304 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -40.11 -36.83 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.75 -67.0 0.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 108.322 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.663 ' O ' HD12 ' A' ' 24' ' ' LEU . 3.1 t80 -47.31 -36.32 9.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.524 ' O ' HG22 ' A' ' 26' ' ' THR . . . -71.88 -37.76 60.7 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -71.83 -26.19 62.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 0.752 . . . . 0.0 109.256 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.6 -46.77 12.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.787 HD13 HG21 ' A' ' 30' ' ' VAL . 4.1 mt -57.65 -20.12 31.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.71 29.05 40.39 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.443 1.089 . . . . 0.0 110.969 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.524 HG22 ' O ' ' A' ' 21' ' ' GLY . 2.4 t -100.12 177.78 4.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.777 . . . . 0.0 110.449 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.45 ' N ' ' OG1' ' A' ' 26' ' ' THR . 24.5 p -116.79 21.64 13.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.404 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.417 HG22 ' OG1' ' A' ' 26' ' ' THR . 12.3 m -137.88 -173.43 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.351 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 5.6 mtm -100.43 130.86 46.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 111.012 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.787 HG21 HD13 ' A' ' 24' ' ' LEU . 96.2 t -109.67 137.47 20.39 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.48 ' HD2' HG13 ' A' ' 30' ' ' VAL . 18.2 Cg_endo -74.96 104.6 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.776 HG11 ' CZ ' ' A' ' 55' ' ' PHE . 55.1 t -48.03 118.14 6.14 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.59 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -74.99 84.51 1.65 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.45 1.763 . . . . 0.0 111.035 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.415 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 96.2 m-85 -61.19 -62.8 1.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 111.001 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.54 -35.28 0.18 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.562 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 14.4 mttt -75.18 -67.68 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.47 ' HE3' ' HB ' ' A' ' 44' ' ' VAL . 92.6 mtp -48.31 -36.13 13.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.929 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.8 mt -70.53 -39.34 74.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -72.77 -51.64 18.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 110.305 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.68 113.88 17.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.355 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -90.1 17.29 7.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 110.269 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.6 m -104.88 23.81 12.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -109.02 -67.41 0.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.881 HG11 ' CD2' ' A' ' 78' ' ' PHE . 4.6 t -119.08 144.27 27.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.2 t -111.49 143.16 21.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.547 HG21 ' CB ' ' A' ' 55' ' ' PHE . 72.5 t -104.16 137.3 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -143.6 125.56 15.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.11 31.87 2.75 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.455 1.097 . . . . 0.0 111.024 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.42 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 9.6 mt -102.34 165.27 14.12 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 109.286 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.655 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.3 Cg_endo -75.05 170.05 21.26 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.539 1.81 . . . . 0.0 110.992 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.966 ' O ' HG23 ' A' ' 53' ' ' VAL . 2.8 tt0 -63.08 143.36 57.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.337 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 43.8 44.81 7.17 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.966 HG23 ' O ' ' A' ' 51' ' ' GLU . 80.0 t -136.71 133.51 48.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 0.755 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -103.42 -179.85 4.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.776 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 41.9 t80 -92.09 14.9 14.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.427 ' HG3' ' CE1' ' A' ' 61' ' ' TYR . 8.8 pt20 -48.52 174.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.456 ' ND1' ' OE1' ' A' ' 59' ' ' GLU . 1.7 t-80 -52.51 144.73 22.91 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.593 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.701 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -75.05 -26.86 10.44 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.523 1.801 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.472 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 9.0 pt-20 -53.28 -18.91 2.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.268 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -90.55 -50.33 6.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.107 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.701 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 21.7 m-30 -38.42 145.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 63' ' ' LEU . 3.2 m-20 -78.75 146.53 33.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 62' ' ' ASP . 10.3 tp -39.56 -34.24 0.22 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.24 -57.81 5.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 48.3 m -51.29 -51.53 53.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.395 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 33.8 mt -46.72 -51.68 15.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.455 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -65.96 -33.39 75.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.419 ' O ' ' N ' ' A' ' 72' ' ' ASN . 60.9 t90 -63.36 -59.52 4.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 107.976 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.476 ' O ' ' N ' ' A' ' 73' ' ' LYS . 37.1 mt -45.88 -51.11 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.414 HD12 HD23 ' A' ' 8' ' ' LEU . 86.5 mt -59.18 -42.01 89.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.34 -13.89 61.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.297 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 68' ' ' TRP . 8.5 m120 -134.76 41.07 2.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 69' ' ' ILE . 8.1 pttp -86.23 -29.67 22.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.98 -30.94 70.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -83.33 -21.7 58.1 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 1.002 HG21 ' OH ' ' A' ' 15' ' ' TYR . 65.3 mt -72.91 128.38 35.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.4 p -143.49 140.97 30.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.043 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.881 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -95.74 102.13 13.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.434 ' N ' HD13 ' A' ' 79' ' ' ILE . 5.8 mm -81.55 93.36 2.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.719 ' CD1' HG22 ' A' ' 44' ' ' VAL . 1.0 OUTLIER -66.52 147.17 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -127.57 -50.61 1.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.1 156.08 25.54 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.272 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 175.55 11.1 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.494 1.786 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.562 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 82.3 m-85 -93.32 170.61 9.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.4 pp -136.4 107.07 6.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.342 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -179.71 158.56 22.39 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 179.85 5.69 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.457 1.767 . . . . 0.0 111.018 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -145.94 116.08 7.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.09 . . . . 0.0 110.324 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.09 157.96 2.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -161.93 134.13 5.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.339 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 28.8 tp -151.01 127.94 11.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -100.19 147.31 18.06 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.543 1.152 . . . . 0.0 111.029 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -171.83 156.05 25.04 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.1 m -179.42 167.86 1.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 0.795 . . . . 0.0 110.035 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -160.37 148.73 17.39 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 132.07 15.01 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.45 1.763 . . . . 0.0 110.984 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.9 m -109.25 163.88 12.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.016 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.81 164.44 12.03 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.535 1.147 . . . . 0.0 109.996 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 O-C-N 124.482 1.114 . . . . 0.0 110.982 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.4 p -102.83 -58.8 1.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 110.003 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.0 t -53.63 130.05 34.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.995 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.23 149.0 5.1 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.547 1.154 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.0 p -176.03 149.32 0.89 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 0.773 . . . . 0.0 109.954 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.1 p -150.83 -67.36 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.979 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.534 ' O ' ' HB2' ' A' ' 11' ' ' ALA . . . 145.76 -157.34 27.33 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.534 1.146 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.482 HD23 ' CD1' ' A' ' 70' ' ' LEU . 0.4 OUTLIER -92.1 -66.1 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 0.745 . . . . 0.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 8' ' ' LEU . 3.3 mtm180 -37.45 -50.72 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -65.46 -52.01 56.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' A' ' 7' ' ' GLY . . . -40.18 -48.05 2.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.544 HG12 ' CE2' ' A' ' 16' ' ' PHE . 74.4 t -60.69 -48.45 88.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.47 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 10.0 mm-40 -61.65 -26.07 67.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.68 -26.38 50.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 22.8 t80 -81.79 -60.51 2.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.544 ' CE2' HG12 ' A' ' 12' ' ' VAL . 4.7 m-85 -37.62 -36.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 111.019 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 99.6 m -66.83 -66.09 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 108.263 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -39.14 -35.35 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.2 m -67.16 -60.45 2.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 108.314 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.625 ' O ' HD12 ' A' ' 24' ' ' LEU . 3.8 t80 -49.49 -37.46 26.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 111.028 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.06 -39.16 84.47 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.89 -23.0 65.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 0.803 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.99 -49.87 7.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.625 HD12 ' O ' ' A' ' 20' ' ' TYR . 2.3 mt -57.66 -31.38 66.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.08 -6.95 43.63 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.665 HG21 ' CG2' ' A' ' 30' ' ' VAL . 1.3 t -66.0 159.93 24.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 110.4 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.51 HG22 ' O ' ' A' ' 27' ' ' THR . 18.7 m -103.06 10.67 37.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.383 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.5 m -126.83 178.83 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 37.7 mtp -82.2 140.02 33.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 111.043 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.665 ' CG2' HG21 ' A' ' 26' ' ' THR . 20.6 t -118.16 130.93 24.43 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 101.17 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.489 1.784 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.796 HG11 ' CZ ' ' A' ' 55' ' ' PHE . 52.7 t -44.77 118.51 3.48 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.57 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -75.0 71.57 4.95 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.499 1.789 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.504 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 96.6 m-85 -48.9 -64.62 0.75 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 34' ' ' TYR . 2.7 tt0 -38.05 -37.81 0.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.561 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 45.0 mttt -72.95 -69.29 0.42 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.571 ' HE3' ' CE2' ' A' ' 78' ' ' PHE . 83.2 mtp -45.64 -37.74 5.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 22.6 mt -65.47 -50.65 64.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.7 mtt-85 -60.87 -51.05 70.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -129.29 126.01 38.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -101.01 18.59 19.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.432 ' O ' ' NH1' ' A' ' 82' ' ' ARG . 62.9 m -101.25 17.97 21.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.029 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -103.89 -60.7 1.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.807 HG11 ' CD2' ' A' ' 78' ' ' PHE . 12.7 t -130.82 147.96 33.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.9 t -112.41 151.45 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.259 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.549 HG21 ' CB ' ' A' ' 55' ' ' PHE . 78.2 t -110.18 135.67 48.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -141.95 128.29 19.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.289 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.04 30.28 3.48 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.546 1.154 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 49' ' ' LEU . 7.7 mt -101.64 164.9 14.99 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.503 0.767 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.456 ' HG2' HG21 ' A' ' 53' ' ' VAL . 18.4 Cg_endo -74.99 160.45 40.17 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.537 1.809 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -60.68 131.43 50.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 60.67 50.28 69.28 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.456 HG21 ' HG2' ' A' ' 50' ' ' PRO . 88.3 t -148.43 136.4 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.474 0.749 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -104.98 174.53 5.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.796 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 43.4 t80 -85.92 15.38 4.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -51.86 163.86 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.447 ' ND1' ' OE2' ' A' ' 59' ' ' GLU . 1.7 t-80 -42.08 143.55 1.0 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.636 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.689 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.1 Cg_endo -75.04 -28.33 9.19 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.532 1.806 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.447 ' OE2' ' ND1' ' A' ' 57' ' ' HIS . 10.9 pt-20 -51.1 -20.39 1.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 61' ' ' TYR . 55.4 m-80 -89.91 -47.59 7.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.689 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.1 m-30 -37.33 146.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.432 ' C ' ' N ' ' A' ' 64' ' ' ALA . 1.5 m-20 -78.79 148.63 32.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.456 ' O ' HD13 ' A' ' 63' ' ' LEU . 2.1 tm? -40.64 -29.52 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.432 ' N ' ' C ' ' A' ' 62' ' ' ASP . . . -73.89 -62.35 1.53 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 53.0 m -46.8 -46.69 20.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.386 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 42.3 mt -51.25 -58.86 5.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.419 ' HD2' HD22 ' A' ' 8' ' ' LEU . 1.3 mptp? -61.77 -32.93 73.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.423 ' O ' ' N ' ' A' ' 72' ' ' ASN . 62.0 t90 -63.19 -59.19 5.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 107.982 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.564 ' CD1' ' CE2' ' A' ' 61' ' ' TYR . 39.7 mt -43.26 -53.44 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.482 ' CD1' HD23 ' A' ' 8' ' ' LEU . 55.1 mt -59.87 -40.43 88.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.67 -12.49 61.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.331 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 68' ' ' TRP . 9.5 m120 -140.88 44.91 1.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 11.0 pttp -83.99 -42.49 16.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.347 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.44 -25.67 6.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.18 -25.57 43.74 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.126 . . . . 0.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.457 ' CD1' HG23 ' A' ' 69' ' ' ILE . 66.4 mt -72.94 124.82 30.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 0.782 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.1 m -140.66 142.48 34.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.018 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.807 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -98.3 110.69 23.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 111.043 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.439 ' N ' HD13 ' A' ' 79' ' ' ILE . 5.6 mm -85.06 92.15 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.757 HD13 HG22 ' A' ' 44' ' ' VAL . 1.0 OUTLIER -65.9 140.3 19.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -124.8 -50.79 1.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.432 ' NH1' ' O ' ' A' ' 42' ' ' SER . 0.0 OUTLIER -163.49 156.36 15.92 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.264 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 174.7 12.33 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.444 1.76 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.561 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 53.7 m-85 -92.25 172.52 8.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.977 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.7 pp -107.43 122.41 46.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.249 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 160.1 160.36 10.5 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.524 1.14 . . . . 0.0 110.953 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -47.76 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.488 1.783 . . . . 0.0 110.979 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 51.74 82.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.98 133.51 4.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.006 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.1 102.73 2.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.311 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -175.3 150.2 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 127.05 144.99 6.13 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.531 1.145 . . . . 0.0 111.031 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -142.77 -117.68 1.28 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.4 m -111.35 146.97 36.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 0.768 . . . . 0.0 109.988 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -109.82 99.68 1.24 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.124 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 176.57 9.73 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.491 1.785 . . . . 0.0 111.035 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.5 m -168.01 -55.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.979 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.26 -58.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.01 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 O-C-N 124.525 1.141 . . . . 0.0 110.951 179.932 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.1 p -116.28 147.8 41.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 0.764 . . . . 0.0 110.004 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.3 p -128.82 -60.0 1.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.955 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.48 -126.03 1.35 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.461 1.1 . . . . 0.0 111.008 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.8 p -112.47 142.85 44.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 0.737 . . . . 0.0 109.981 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.1 t -48.38 115.19 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.005 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.91 -169.6 32.5 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.474 ' CD2' ' HG3' ' A' ' 67' ' ' LYS . 0.6 OUTLIER -42.27 -57.31 2.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 109.306 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -38.4 -49.77 1.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 110.275 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 13' ' ' GLU . 40.6 tptt -69.6 -48.61 59.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -43.82 -46.06 7.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.474 HG11 ' HB3' ' A' ' 58' ' ' PRO . 51.3 t -63.13 -40.31 88.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.471 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 2.3 mt-10 -69.79 -31.76 69.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 10' ' ' LYS . 12.3 t0 -69.16 -23.84 63.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 44.0 t80 -83.26 -64.85 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.43 ' CD1' ' HE1' ' A' ' 55' ' ' PHE . 6.9 m-85 -36.46 -45.21 0.48 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 75.7 m -56.28 -62.35 1.77 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.096 . . . . 0.0 108.258 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -39.77 -48.23 2.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 22' ' ' LYS . 6.9 m -53.91 -69.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 108.267 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.592 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 5.0 t80 -40.41 -37.64 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.978 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.477 ' O ' HG22 ' A' ' 26' ' ' THR . . . -70.72 -43.07 60.65 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -66.03 -27.19 67.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 0.767 . . . . 0.0 109.267 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.36 -46.08 14.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.549 HD13 HG21 ' A' ' 30' ' ' VAL . 6.0 mt -57.81 -27.73 63.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.95 29.74 8.88 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.437 1.085 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.489 ' OG1' HG22 ' A' ' 28' ' ' VAL . 6.8 t -107.44 172.49 6.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 0.796 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 38.2 p -112.78 18.15 18.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 110.422 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.489 HG22 ' OG1' ' A' ' 26' ' ' THR . 17.4 m -129.93 -175.34 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 80.2 mtp -96.64 130.49 43.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.549 HG21 HD13 ' A' ' 24' ' ' LEU . 23.9 t -110.16 131.31 22.07 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 18.3 Cg_endo -75.03 105.94 2.18 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.516 1.798 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.68 HG11 ' CZ ' ' A' ' 55' ' ' PHE . 66.8 t -47.83 118.19 5.97 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 109.318 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.592 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -75.01 74.62 3.95 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.58 1.831 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.531 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 97.6 m-85 -53.97 -63.07 1.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -37.67 -31.58 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 110.308 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 34' ' ' TYR . 15.4 mttt -80.67 -68.87 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 15.9 mmm -48.66 -44.76 37.92 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 0.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 38' ' ' LEU . 15.1 mt -54.15 -36.7 63.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.4 mtt85 -77.15 -46.9 21.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.272 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -140.27 118.08 11.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -89.84 17.52 6.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 m -91.91 31.1 1.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 110.028 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -120.19 -62.49 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.907 HG11 ' CD2' ' A' ' 78' ' ' PHE . 12.9 t -124.72 143.36 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.6 t -106.62 151.18 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.58 HG21 ' CB ' ' A' ' 55' ' ' PHE . 72.7 t -112.36 137.21 46.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.258 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -145.51 127.24 15.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.128 . . . . 0.0 110.291 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.78 30.73 3.38 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.562 1.164 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.417 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 9.2 mt -101.82 165.09 14.59 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.469 0.747 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.516 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.3 Cg_endo -75.03 154.09 42.1 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.561 1.821 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.73 132.14 45.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 59.31 50.25 69.79 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.464 1.103 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.516 HG11 ' HG2' ' A' ' 50' ' ' PRO . 94.4 t -148.37 127.34 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 0.786 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -95.13 176.25 6.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.254 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.68 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 35.0 t80 -88.86 14.52 10.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 111.036 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -49.25 161.82 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.424 ' ND1' ' HD2' ' A' ' 58' ' ' PRO . 1.7 t-80 -40.71 144.05 0.64 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 109.585 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.698 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -75.05 -28.34 9.17 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.532 1.806 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.83 -21.09 1.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 -88.32 -47.61 8.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.698 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.7 m-30 -39.31 141.68 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.446 ' C ' ' N ' ' A' ' 64' ' ' ALA . 4.3 m-20 -74.05 145.69 44.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.8 tp -39.41 -30.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.446 ' N ' ' C ' ' A' ' 62' ' ' ASP . . . -71.09 -60.06 2.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 60.1 m -49.47 -51.03 38.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.399 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 39.4 mt -46.42 -52.71 12.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.282 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.474 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -66.56 -31.88 72.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 58.0 t90 -63.91 -58.58 6.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 108.005 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 73' ' ' LYS . 30.5 mt -44.12 -52.91 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 31.4 mt -60.46 -38.28 83.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.94 -10.01 59.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -147.27 46.33 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 11.1 pttp -84.56 -40.52 17.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.02 -27.7 5.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -82.87 -25.75 48.24 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.462 HD12 HG23 ' A' ' 69' ' ' ILE . 67.3 mt -72.86 123.69 28.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.773 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.9 p -138.03 142.3 40.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.968 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.907 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -98.55 104.18 16.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.165 . . . . 0.0 110.998 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.464 ' N ' HD13 ' A' ' 79' ' ' ILE . 5.2 mm -80.66 88.34 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.536 ' CD1' HG22 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -63.35 122.93 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 22.3 m-20 -105.44 -42.62 5.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.29 156.19 4.44 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -179.75 5.29 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.479 1.778 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.56 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 57.1 m-85 -94.95 -176.57 3.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 110.958 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -133.16 137.66 46.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 148.48 166.16 12.66 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.526 1.141 . . . . 0.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 165.86 30.45 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.525 1.803 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -155.26 148.03 24.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.302 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.58 159.92 31.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.958 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -178.86 111.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.335 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -141.85 164.56 29.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 145.86 139.32 3.35 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.457 1.098 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 162.84 156.72 8.67 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.77 -172.6 2.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 0.732 . . . . 0.0 109.997 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -141.37 103.06 0.32 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.469 1.106 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 80.79 2.37 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.498 1.788 . . . . 0.0 110.974 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.8 OUTLIER -170.7 104.46 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.987 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 97' ' ' SER . 1.4 t -39.13 99.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.975 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 97' ' ' SER . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.438 1.086 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.461 ' CD2' ' HG3' ' A' ' 67' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 8' ' ' LEU . 12.2 ttp180 -37.87 -54.24 1.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -58.58 -51.42 69.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.355 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -44.9 -49.58 10.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.512 HG12 ' CE2' ' A' ' 16' ' ' PHE . 63.0 t -56.69 -40.74 71.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 0.0 109.256 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.478 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 3.3 mt-10 -70.17 -50.31 41.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -54.24 -28.34 40.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 24.7 t80 -78.42 -63.64 1.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.512 ' CE2' HG12 ' A' ' 12' ' ' VAL . 4.0 m-85 -36.26 -38.33 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 70.8 m -64.69 -61.93 1.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 108.312 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -40.26 -33.51 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.979 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.8 m -67.42 -63.35 1.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 108.324 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.586 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 4.7 t80 -48.37 -40.71 26.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.529 ' O ' HG22 ' A' ' 26' ' ' THR . . . -67.51 -33.84 82.63 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.485 1.115 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -75.86 -26.41 57.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.781 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.81 -44.14 17.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.781 HD13 HG21 ' A' ' 30' ' ' VAL . 4.0 mt -57.86 -33.58 68.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.26 21.42 10.81 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.529 HG22 ' O ' ' A' ' 21' ' ' GLY . 10.0 t -98.83 176.4 5.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 0.0 110.375 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 m -116.16 19.91 14.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.395 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.0 m -132.42 -172.52 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 67.9 mtp -100.6 135.72 41.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.781 HG21 HD13 ' A' ' 24' ' ' LEU . 87.1 t -113.55 141.03 25.26 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.593 ' HD2' HG13 ' A' ' 30' ' ' VAL . 18.1 Cg_endo -75.02 95.31 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.505 1.792 . . . . 0.0 110.982 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.653 HG11 ' HZ ' ' A' ' 55' ' ' PHE . 44.1 t -40.46 114.27 1.05 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.586 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -75.03 80.65 2.39 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.458 1.768 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.496 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 94.6 m-85 -57.94 -64.51 0.88 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.148 . . . . 0.0 110.994 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -38.22 -38.33 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 110.332 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.559 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 61.4 mttt -69.02 -67.11 0.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.577 ' CE ' ' CZ ' ' A' ' 78' ' ' PHE . 81.0 mtp -50.91 -47.09 60.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 26.4 mt -55.36 -53.13 60.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -57.64 -53.55 56.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.277 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -134.88 127.28 30.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -95.15 17.84 13.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.22 32.27 1.76 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.961 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -129.48 -53.99 1.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.804 HG11 ' CD2' ' A' ' 78' ' ' PHE . 6.4 t -132.72 140.54 47.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.2 t -110.0 150.92 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.25 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.518 HG21 ' CB ' ' A' ' 55' ' ' PHE . 78.5 t -112.68 135.39 52.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -144.29 126.58 15.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.19 33.97 2.24 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.553 1.158 . . . . 0.0 111.022 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.415 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 8.4 mt -105.34 164.22 15.52 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.469 0.747 . . . . 0.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.548 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.2 Cg_endo -75.02 154.55 42.46 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.498 1.788 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -54.08 131.89 41.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 58.53 50.46 66.74 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.449 1.093 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.548 HG11 ' HG2' ' A' ' 50' ' ' PRO . 89.7 t -148.64 125.33 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 0.777 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -93.43 175.04 6.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.26 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.653 ' HZ ' HG11 ' A' ' 32' ' ' VAL . 37.7 t80 -86.01 14.1 6.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -47.68 162.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.27 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.434 ' CE1' ' OE2' ' A' ' 13' ' ' GLU . 1.7 t-80 -42.0 144.15 0.9 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.61 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.699 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -75.04 -31.14 6.39 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.522 1.801 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.7 -23.93 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.345 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -85.15 -48.7 8.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.699 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.3 m-30 -39.19 135.2 1.01 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.434 ' C ' ' N ' ' A' ' 64' ' ' ALA . 1.6 m-20 -70.0 146.89 50.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.6 tp -39.97 -30.36 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.261 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.434 ' N ' ' C ' ' A' ' 62' ' ' ASP . . . -72.52 -57.0 4.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 78.1 m -53.13 -50.61 64.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 110.381 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 46.8 mt -47.26 -49.16 24.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.461 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -68.47 -30.9 69.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 51.9 t90 -64.43 -56.38 14.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 107.974 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.733 HG23 ' CD1' ' A' ' 76' ' ' ILE . 43.0 mt -48.77 -45.74 15.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.447 ' CD1' HD23 ' A' ' 8' ' ' LEU . 61.5 mt -66.14 -39.42 89.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.88 -10.62 60.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 110.271 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -141.89 40.4 1.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 11.0 pttp -81.04 -35.27 32.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.581 1.175 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.75 -19.1 9.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -92.84 -24.21 23.6 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.538 1.149 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.733 ' CD1' HG23 ' A' ' 69' ' ' ILE . 41.9 mt -72.3 121.5 22.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 m -141.32 135.3 30.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 110.04 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.804 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -90.05 105.05 17.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.451 HD13 ' N ' ' A' ' 79' ' ' ILE . 5.1 mm -82.57 92.97 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.721 ' CD1' HG22 ' A' ' 44' ' ' VAL . 1.0 OUTLIER -69.82 142.78 15.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -123.99 -44.0 2.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.61 157.24 10.81 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 110.266 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 177.98 7.87 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.499 1.789 . . . . 0.0 110.95 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 44.9 m-85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.8 mtm180 -41.92 -47.96 4.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.283 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -56.4 -51.77 67.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -47.69 -44.39 27.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.535 HG12 ' CE2' ' A' ' 16' ' ' PHE . 53.8 t -66.39 -41.63 89.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.463 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 3.9 mm-40 -65.95 -36.2 82.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.92 -24.34 66.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.559 ' CE2' ' HB2' ' A' ' 73' ' ' LYS . 70.8 t80 -84.26 -63.85 1.27 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.535 ' CE2' HG12 ' A' ' 12' ' ' VAL . 3.9 m-85 -36.01 -33.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.962 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 15' ' ' TYR . 76.4 m -69.64 -59.41 2.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 108.317 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.431 ' N ' ' O ' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -43.13 -35.19 1.26 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.949 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.5 m -64.63 -66.42 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 108.291 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.584 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 3.7 t80 -46.8 -35.33 6.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.37 -38.04 58.59 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.535 1.147 . . . . 0.0 111.047 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.4 mttt -70.28 -24.56 63.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.86 -45.24 12.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.639 HD13 HG21 ' A' ' 30' ' ' VAL . 4.9 mt -60.12 -26.4 66.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.565 1.166 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.21 32.35 8.95 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.547 1.154 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.54 ' OG1' HG22 ' A' ' 28' ' ' VAL . 15.1 t -110.12 153.51 24.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 110.369 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.6 m -94.82 23.23 5.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.413 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.54 HG22 ' OG1' ' A' ' 26' ' ' THR . 14.6 m -133.97 -173.79 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 76.3 mtp -99.94 131.75 45.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.975 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.639 HG21 HD13 ' A' ' 24' ' ' LEU . 53.4 t -109.48 136.05 20.27 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 18.3 Cg_endo -74.98 101.61 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.499 1.789 . . . . 0.0 110.994 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.843 HG11 ' HZ ' ' A' ' 55' ' ' PHE . 48.2 t -48.41 115.71 4.46 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.584 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.4 Cg_endo -74.96 83.09 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.504 1.792 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.421 ' O ' ' C ' ' A' ' 35' ' ' GLU . 76.9 m-85 -58.44 -66.58 0.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -36.99 -41.1 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 110.349 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.567 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 26.9 mttt -64.78 -68.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.44 ' HE3' ' HB ' ' A' ' 44' ' ' VAL . 66.2 mtp -50.16 -46.14 53.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.9 mt -55.03 -38.92 68.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.4 mtt-85 -75.05 -52.47 10.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.316 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -127.98 118.91 24.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -93.87 19.01 9.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.65 25.9 7.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.988 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -114.88 -67.18 1.01 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.869 HG11 ' CD2' ' A' ' 78' ' ' PHE . 10.8 t -121.21 144.11 31.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.7 t -108.94 151.98 11.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.537 HG21 ' CB ' ' A' ' 55' ' ' PHE . 73.5 t -111.94 137.03 46.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -144.11 128.45 17.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.74 30.8 3.37 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.471 1.107 . . . . 0.0 110.956 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 49' ' ' LEU . 7.6 mt -102.59 165.08 14.38 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 109.333 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.584 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.4 Cg_endo -75.03 176.66 9.63 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.528 1.804 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 1.021 ' O ' HG23 ' A' ' 53' ' ' VAL . 3.0 tt0 -67.34 145.63 54.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 40.24 47.74 3.57 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.547 1.154 . . . . 0.0 110.958 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 1.021 HG23 ' O ' ' A' ' 51' ' ' GLU . 85.8 t -136.73 139.72 44.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -106.85 -179.55 3.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.843 ' HZ ' HG11 ' A' ' 32' ' ' VAL . 37.3 t80 -92.59 16.17 12.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.958 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.489 ' HG3' ' CE1' ' A' ' 61' ' ' TYR . 16.4 pt20 -47.08 173.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.531 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.5 t-80 -55.12 147.4 35.07 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.578 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.707 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -75.01 -32.44 5.36 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.473 1.775 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.88 -22.32 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -87.6 -51.9 5.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.707 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 22.1 m-30 -37.52 140.73 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -77.2 153.79 33.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.1 tp -39.34 -50.96 2.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.35 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 68' ' ' TRP . . . -54.2 -59.96 3.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 66.3 m -50.48 -54.97 18.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.37 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.41 ' CD2' ' HB2' ' A' ' 61' ' ' TYR . 63.9 mt -49.43 -50.07 42.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -28.71 68.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.446 ' N ' ' O ' ' A' ' 64' ' ' ALA . 70.2 t90 -67.69 -61.19 2.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 108.024 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.755 HG23 ' CD1' ' A' ' 76' ' ' ILE . 61.8 mt -42.61 -49.0 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 87.5 mt -62.8 -42.45 99.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 68' ' ' TRP . 0.1 OUTLIER -67.17 -16.32 64.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 110.317 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -138.7 44.77 2.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.559 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . 1.8 ptmm? -79.75 -42.73 23.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.1 -23.81 3.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.303 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.5 -25.52 42.6 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.755 ' CD1' HG23 ' A' ' 69' ' ' ILE . 38.4 mt -72.48 125.02 30.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.2 p -143.09 140.57 30.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.984 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.869 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -97.18 110.19 22.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 110.989 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.443 ' N ' HD13 ' A' ' 79' ' ' ILE . 5.4 mm -85.33 91.03 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.54 ' CD1' HG22 ' A' ' 44' ' ' VAL . 0.4 OUTLIER -66.98 140.41 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -125.62 -47.03 1.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.241 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.9 ptt180 -166.4 156.18 10.56 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.326 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -177.33 3.39 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.517 1.798 . . . . 0.0 111.009 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.567 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 42.8 m-85 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.407 HD23 ' CD1' ' A' ' 70' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.483 ' CD ' ' HA ' ' A' ' 59' ' ' GLU . 2.4 mtm105 -44.99 -41.36 7.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 13' ' ' GLU . 4.0 mmmt -74.88 -51.64 13.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -40.37 -40.77 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.528 HG12 ' CE2' ' A' ' 16' ' ' PHE . 69.1 t -68.24 -50.03 61.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.237 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.467 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 1.8 mm-40 -61.19 -28.23 68.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 110.29 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -71.77 -30.13 65.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.52 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 60.2 t80 -79.22 -62.19 1.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.974 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.528 ' CE2' HG12 ' A' ' 12' ' ' VAL . 5.1 m-85 -36.14 -41.93 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.105 . . . . 0.0 110.982 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 75.8 m -61.47 -58.26 8.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 108.339 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.412 ' N ' ' O ' ' A' ' 15' ' ' TYR . 5.9 t80 -45.75 -41.39 10.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 13.2 m -59.2 -64.21 1.02 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 108.271 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.565 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 4.0 t80 -50.19 -40.72 47.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.53 ' O ' HG22 ' A' ' 26' ' ' THR . . . -67.63 -36.44 87.9 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.535 1.147 . . . . 0.0 110.955 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -72.89 -25.97 61.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 0.751 . . . . 0.0 109.268 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.59 -45.45 14.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.527 HD11 ' CD2' ' A' ' 20' ' ' TYR . 4.6 mt -58.7 -25.36 62.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.84 29.19 12.13 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.53 HG22 ' O ' ' A' ' 21' ' ' GLY . 14.8 t -105.87 152.93 22.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 0.779 . . . . 0.0 110.374 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.1 m -94.26 23.77 4.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 110.381 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.474 HG22 ' OG1' ' A' ' 26' ' ' THR . 18.5 m -138.74 -177.02 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 65.5 mtp -94.25 135.52 35.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.082 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.527 HG21 HD13 ' A' ' 24' ' ' LEU . 48.2 t -113.72 137.99 22.48 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.403 ' HD2' HG13 ' A' ' 30' ' ' VAL . 18.4 Cg_endo -74.97 105.7 2.13 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.496 1.788 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.777 HG11 ' HZ ' ' A' ' 55' ' ' PHE . 52.6 t -52.56 116.18 8.35 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.565 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -75.03 81.24 2.26 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.443 1.76 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 35' ' ' GLU . 73.6 m-85 -59.03 -64.57 0.89 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.15 . . . . 0.0 111.027 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 34' ' ' TYR . 3.6 tt0 -38.28 -37.32 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.568 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 10.3 mtpt -68.82 -69.17 0.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.449 ' CE ' ' CZ ' ' A' ' 78' ' ' PHE . 66.4 mtp -49.95 -37.64 32.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.1 mt -63.66 -49.02 74.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.0 mtt180 -64.33 -49.81 70.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.357 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -132.43 122.7 25.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -95.4 19.52 10.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.357 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.4 32.4 3.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 110.027 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -120.9 -57.54 1.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.728 HG22 HD13 ' A' ' 80' ' ' ILE . 14.2 t -132.93 149.17 31.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.251 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.4 t -113.0 147.23 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.561 HG21 ' CB ' ' A' ' 55' ' ' PHE . 61.6 t -106.54 137.12 38.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.35 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -143.63 129.05 18.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.28 30.9 3.7 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.507 1.129 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.421 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 7.6 mt -103.24 165.26 13.9 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.772 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.683 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.4 Cg_endo -75.0 172.45 16.34 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.512 1.796 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 1.023 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -62.96 145.43 55.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 39.1 47.45 2.57 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 1.023 HG23 ' O ' ' A' ' 51' ' ' GLU . 95.5 t -136.78 129.22 44.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.548 0.793 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -98.38 176.96 5.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.777 ' HZ ' HG11 ' A' ' 32' ' ' VAL . 42.8 t80 -89.41 14.5 11.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.951 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' HIS . 14.6 pt20 -49.74 162.16 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 110.305 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 56' ' ' GLN . 1.7 t-80 -40.11 142.87 0.66 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.596 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.697 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -75.02 -29.05 8.59 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.501 1.79 . . . . 0.0 110.972 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.483 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -49.02 -22.19 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.332 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 61' ' ' TYR . 54.4 m-80 -86.99 -49.39 7.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.697 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.5 m-30 -37.33 148.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 63' ' ' LEU . 0.8 OUTLIER -83.69 149.36 26.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.833 HD12 ' HE2' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -39.95 -41.29 1.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.35 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.19 -53.19 53.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 62' ' ' ASP . 80.8 m -55.19 -50.35 69.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.418 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 57.7 mt -52.18 -50.93 60.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.833 ' HE2' HD12 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -64.26 -30.75 71.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.574 1.171 . . . . 0.0 109.311 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.448 ' O ' ' N ' ' A' ' 71' ' ' GLU . 73.7 t90 -66.35 -62.95 1.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 108.001 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.782 HG23 ' CD1' ' A' ' 76' ' ' ILE . 46.2 mt -41.57 -49.16 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.407 ' CD1' HD23 ' A' ' 8' ' ' LEU . 87.7 mt -62.51 -42.57 99.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 68' ' ' TRP . 0.7 OUTLIER -68.69 -15.94 63.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 68' ' ' TRP . 4.3 m-80 -138.0 46.67 2.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 0.8 OUTLIER -82.03 -42.19 19.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.83 -23.84 3.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.82 -25.91 39.89 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.782 ' CD1' HG23 ' A' ' 69' ' ' ILE . 38.0 mt -72.19 125.16 30.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 0.751 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 m -143.6 137.02 28.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.971 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.59 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -92.73 106.55 18.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 111.013 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.408 ' N ' HD13 ' A' ' 79' ' ' ILE . 6.2 mm -85.05 88.93 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.728 HD13 HG22 ' A' ' 44' ' ' VAL . 2.9 mm -58.53 152.66 3.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -136.14 -47.31 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -166.48 155.96 10.3 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 174.55 12.6 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.485 1.781 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 59.2 m-85 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 110.978 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.462 HD23 HD12 ' A' ' 70' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.48 ' CZ ' ' HB2' ' A' ' 9' ' ' ARG . 1.2 ttm105 -40.81 -39.12 1.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -76.35 -51.43 11.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -42.84 -52.24 5.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.498 HG12 ' CE2' ' A' ' 16' ' ' PHE . 72.7 t -53.76 -40.42 43.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.46 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 1.8 mm-40 -71.78 -35.27 69.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.156 . . . . 0.0 110.337 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.33 -16.04 63.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 67.0 t80 -92.31 -63.91 1.18 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 111.043 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.498 ' CE2' HG12 ' A' ' 12' ' ' VAL . 5.6 m-85 -35.86 -34.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.433 ' N ' ' O ' ' A' ' 15' ' ' TYR . 83.3 m -67.29 -61.58 1.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 108.318 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -41.18 -39.51 1.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.8 m -59.54 -64.58 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 108.276 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.589 ' O ' HD12 ' A' ' 24' ' ' LEU . 4.8 t80 -47.89 -35.76 11.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 111.016 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.482 ' O ' HG22 ' A' ' 26' ' ' THR . . . -72.33 -33.66 61.42 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.2 mtpt -76.29 -26.04 55.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.759 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.425 ' HB1' ' HB ' ' A' ' 80' ' ' ILE . . . -82.65 -45.29 14.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.589 HD12 ' O ' ' A' ' 20' ' ' TYR . 5.3 mt -57.52 -28.7 63.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.92 -5.4 39.61 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.482 HG22 ' O ' ' A' ' 21' ' ' GLY . 9.5 t -74.7 178.8 5.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 0.79 . . . . 0.0 110.392 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 39.2 m -123.11 19.24 9.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.36 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.425 HG22 ' OG1' ' A' ' 26' ' ' THR . 30.1 m -125.7 -175.4 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 0.0 109.254 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 68.1 mtp -94.75 122.83 37.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.947 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.548 HG21 HD13 ' A' ' 24' ' ' LEU . 43.5 t -105.41 136.91 19.16 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 18.4 Cg_endo -74.96 103.02 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.483 1.781 . . . . 0.0 110.992 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.819 HG11 ' CZ ' ' A' ' 55' ' ' PHE . 44.8 t -49.05 118.08 7.16 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.582 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -75.01 78.51 2.88 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.495 1.787 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.471 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 97.4 m-85 -54.01 -64.52 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 111.051 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -37.92 -40.93 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.341 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.547 ' HB3' ' CD2' ' A' ' 84' ' ' PHE . 14.6 mttm -68.22 -69.12 0.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.52 ' CE ' ' CZ ' ' A' ' 78' ' ' PHE . 65.1 mtp -46.55 -44.54 18.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.1 mt -58.1 -49.25 77.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.265 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.1 mtt180 -64.37 -53.54 47.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -131.42 125.26 32.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -96.49 15.91 20.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 81.2 p -92.77 25.54 3.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.996 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -114.89 -60.02 1.94 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.857 HG11 ' CD2' ' A' ' 78' ' ' PHE . 12.0 t -133.02 149.11 31.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.2 t -113.79 153.63 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.519 HG21 ' CB ' ' A' ' 55' ' ' PHE . 78.3 t -113.03 136.19 50.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -144.38 124.59 13.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.263 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.69 30.47 2.59 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.123 . . . . 0.0 110.995 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 49' ' ' LEU . 7.6 mt -100.89 165.03 14.98 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.528 0.781 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.421 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.5 Cg_endo -74.96 156.34 43.14 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.521 1.8 . . . . 0.0 111.02 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.63 130.07 45.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.288 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 63.71 49.45 68.62 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.542 1.151 . . . . 0.0 110.971 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.421 HG11 ' HG2' ' A' ' 50' ' ' PRO . 95.0 t -149.8 137.37 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -104.41 176.69 5.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.819 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 32.4 t80 -88.38 13.81 10.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -48.28 173.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.253 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.445 ' ND1' ' OE2' ' A' ' 59' ' ' GLU . 1.7 t-80 -51.06 142.78 17.3 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.616 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.69 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.97 -29.54 8.17 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.526 1.803 . . . . 0.0 111.045 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.445 ' OE2' ' ND1' ' A' ' 57' ' ' HIS . 11.8 pt-20 -48.44 -22.64 0.75 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 61' ' ' TYR . 42.1 m-80 -87.97 -48.99 7.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.69 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.4 m-30 -36.81 141.8 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 111.027 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.58 149.43 36.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.611 HD12 ' NZ ' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -40.49 -40.34 1.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.2 -53.34 50.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 99.5 m -55.57 -51.28 67.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.429 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 45.6 mt -50.19 -49.96 50.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.081 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.611 ' NZ ' HD12 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -66.19 -35.7 81.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.279 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.454 ' O ' ' N ' ' A' ' 72' ' ' ASN . 63.0 t90 -62.3 -57.89 9.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 108.007 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.482 ' CD1' ' CD2' ' A' ' 61' ' ' TYR . 50.5 mt -43.28 -54.08 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.462 HD12 HD23 ' A' ' 8' ' ' LEU . 73.4 mt -60.33 -39.21 86.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.61 -10.68 59.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 68' ' ' TRP . 4.0 m-80 -140.89 42.25 1.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 0.4 OUTLIER -83.29 -36.65 24.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.45 -28.45 30.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -83.44 -26.55 42.78 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.131 . . . . 0.0 110.952 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.472 ' CD1' HG23 ' A' ' 69' ' ' ILE . 66.6 mt -72.33 119.61 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 0.748 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 m -138.06 135.74 36.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.997 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.857 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -92.07 108.25 19.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.559 1.162 . . . . 0.0 111.04 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.516 HD13 ' N ' ' A' ' 79' ' ' ILE . 4.4 mm -81.83 90.46 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.449 HD13 HG22 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -68.06 139.98 19.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -126.21 -44.4 1.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.268 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -168.11 156.69 8.3 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.333 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -178.23 4.02 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.507 1.793 . . . . 0.0 111.028 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.547 ' CD2' ' HB3' ' A' ' 36' ' ' LYS . 47.3 m-85 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 9' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.473 ' HD2' ' CB ' ' A' ' 59' ' ' GLU . 18.4 ttp180 -38.44 -50.36 1.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 13' ' ' GLU . 2.7 tmtm? -58.02 -56.77 17.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -41.17 -50.81 3.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.495 HG12 ' CE2' ' A' ' 16' ' ' PHE . 75.4 t -56.89 -43.95 81.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.47 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 2.2 mt-10 -66.21 -35.9 81.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.459 ' O ' ' HE3' ' A' ' 29' ' ' MET . 9.0 t0 -71.66 -25.8 62.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 40.2 t80 -79.15 -64.23 1.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.495 ' CE2' HG12 ' A' ' 12' ' ' VAL . 4.7 m-85 -36.78 -34.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 99.8 m -65.31 -66.04 0.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 108.296 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -37.74 -38.28 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.3 m -61.26 -61.93 2.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 108.297 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.587 ' CD2' HD11 ' A' ' 24' ' ' LEU . 3.4 t80 -51.25 -43.95 61.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.98 -36.05 92.78 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.7 mttt -73.0 -25.78 61.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 0.765 . . . . 0.0 109.292 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.09 -40.49 15.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.811 HD13 HG21 ' A' ' 30' ' ' VAL . 11.6 mt -58.11 -33.77 69.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.27 21.29 10.92 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.447 1.092 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.424 ' OG1' HG22 ' A' ' 28' ' ' VAL . 8.7 t -103.1 -178.47 3.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.757 . . . . 0.0 110.438 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.2 p -120.66 19.47 11.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.425 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.424 HG22 ' OG1' ' A' ' 26' ' ' THR . 15.8 m -129.56 -175.36 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.459 ' HE3' ' O ' ' A' ' 14' ' ' ASP . 88.7 mtp -98.34 132.02 44.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.811 HG21 HD13 ' A' ' 24' ' ' LEU . 93.9 t -111.35 140.16 22.7 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.571 ' HD2' HG13 ' A' ' 30' ' ' VAL . 18.1 Cg_endo -75.01 96.39 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.516 1.798 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.77 HG11 ' HZ ' ' A' ' 55' ' ' PHE . 48.1 t -41.79 115.18 1.42 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.586 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -74.94 87.27 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.453 1.765 . . . . 0.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.437 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 96.0 m-85 -63.18 -66.91 0.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 111.043 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 34' ' ' TYR . 4.6 tt0 -35.35 -43.82 0.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.564 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 37.3 mttt -63.04 -69.44 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.433 ' HE3' ' CE2' ' A' ' 78' ' ' PHE . 78.5 mtp -48.65 -37.24 17.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.5 mt -64.9 -42.33 94.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.359 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -70.06 -50.15 43.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 110.33 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -135.16 118.7 16.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -91.51 18.08 7.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.95 24.69 5.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.997 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -114.41 -55.86 2.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.862 HG11 ' CD2' ' A' ' 78' ' ' PHE . 6.1 t -132.94 150.02 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.7 t -117.03 148.45 19.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.528 HG21 ' CB ' ' A' ' 55' ' ' PHE . 74.5 t -107.62 138.25 34.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -145.63 127.86 15.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.9 29.98 3.62 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.558 1.161 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.424 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 8.7 mt -101.4 165.29 14.36 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.752 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.627 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.3 Cg_endo -74.99 173.15 15.0 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 0.0 111.015 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 1.005 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -65.44 145.22 56.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.307 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 41.8 45.77 4.77 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.513 1.133 . . . . 0.0 110.931 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 1.005 HG23 ' O ' ' A' ' 51' ' ' GLU . 93.8 t -136.73 135.77 48.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 0.757 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -104.44 178.53 4.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.77 ' HZ ' HG11 ' A' ' 32' ' ' VAL . 38.6 t80 -90.23 15.26 10.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.497 ' HG3' ' CE1' ' A' ' 61' ' ' TYR . 11.5 pt20 -47.4 170.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.514 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.6 t-80 -50.93 146.85 9.69 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.641 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.692 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -75.01 -30.87 6.69 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.539 1.81 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.473 ' CB ' ' HD2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -50.14 -21.4 1.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -88.09 -51.19 5.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.255 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.692 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 22.0 m-30 -37.46 140.56 0.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.968 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 65' ' ' THR . 0.4 OUTLIER -74.14 146.97 43.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 62' ' ' ASP . 5.9 tp -39.63 -35.14 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.63 -53.49 22.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 62' ' ' ASP . 37.8 m -55.81 -50.49 70.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.422 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 40.8 mt -49.13 -49.65 41.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.48 -32.97 74.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.4 ' O ' ' N ' ' A' ' 72' ' ' ASN . 62.3 t90 -63.69 -58.56 6.51 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.762 HG23 ' CD1' ' A' ' 76' ' ' ILE . 76.4 mt -44.66 -51.77 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.314 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 77.6 mt -60.61 -42.55 97.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.85 -16.76 64.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 68' ' ' TRP . 4.3 m-80 -137.91 46.28 2.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 1.0 OUTLIER -83.31 -42.51 17.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.59 -23.31 4.09 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.142 . . . . 0.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -85.03 -27.21 34.67 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.762 ' CD1' HG23 ' A' ' 69' ' ' ILE . 57.7 mt -72.48 123.34 26.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 0.755 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.9 p -140.6 139.69 34.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.01 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.862 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -96.08 109.04 21.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 111.042 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.506 HD13 ' N ' ' A' ' 79' ' ' ILE . 4.4 mm -83.56 89.9 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.24 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.527 HD13 HG22 ' A' ' 44' ' ' VAL . 0.5 OUTLIER -65.75 146.74 13.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.269 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -131.81 -48.41 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.238 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -163.6 157.41 16.56 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 110.315 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -177.63 3.61 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.532 1.806 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 23.2 m-85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.492 HD23 ' CD1' ' A' ' 70' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -41.85 -50.92 4.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.26 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 13' ' ' GLU . 0.7 OUTLIER -67.03 -49.3 65.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -45.58 -51.27 12.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.552 HG11 ' HB3' ' A' ' 58' ' ' PRO . 45.8 t -55.09 -35.11 33.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.449 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 2.4 mm-40 -76.34 -42.65 44.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 110.274 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.27 -15.83 28.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.525 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 76.6 t80 -90.45 -66.18 0.95 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.977 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' A' ' 15' ' ' TYR . 6.4 m-85 -35.91 -36.52 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 83.9 m -63.75 -61.67 2.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 108.307 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -43.92 -35.69 2.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 12.9 m -63.74 -61.38 2.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 108.257 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.599 ' O ' HD12 ' A' ' 24' ' ' LEU . 3.3 t80 -51.87 -37.05 50.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.467 ' O ' HG22 ' A' ' 26' ' ' THR . . . -71.38 -32.41 65.06 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.48 1.113 . . . . 0.0 111.007 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -77.43 -26.74 51.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 0.736 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.58 -44.77 15.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.65 HD13 HG21 ' A' ' 30' ' ' VAL . 4.9 mt -57.82 -33.19 68.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.42 24.61 10.03 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.524 1.14 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.467 HG22 ' O ' ' A' ' 21' ' ' GLY . 8.8 t -100.46 172.65 6.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 0.759 . . . . 0.0 110.406 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.55 ' O ' HG22 ' A' ' 27' ' ' THR . 39.3 m -111.93 19.66 17.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.429 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.443 HG22 ' OG1' ' A' ' 26' ' ' THR . 11.8 m -132.98 -173.86 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 78.0 mtp -98.64 133.05 43.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.65 HG21 HD13 ' A' ' 24' ' ' LEU . 65.3 t -114.59 136.74 22.45 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 18.3 Cg_endo -75.0 107.69 2.54 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.508 1.794 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.829 HG11 ' HZ ' ' A' ' 55' ' ' PHE . 43.7 t -51.59 116.87 8.49 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.597 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -74.98 82.49 1.99 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.51 1.795 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.406 ' O ' ' C ' ' A' ' 35' ' ' GLU . 67.6 m-85 -59.16 -65.22 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 34' ' ' TYR . 1.4 tp10 -38.27 -37.55 0.29 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.566 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 17.9 mtpt -69.58 -67.48 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.504 ' HE3' ' CE2' ' A' ' 78' ' ' PHE . 72.4 mtp -50.43 -41.97 53.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.976 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 26.6 mt -59.62 -39.88 85.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -74.26 -53.77 9.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.319 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -127.36 120.04 27.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -93.64 18.1 10.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.5 m -99.56 27.23 5.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.039 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -116.21 -55.67 2.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.802 HG11 ' CD2' ' A' ' 78' ' ' PHE . 9.2 t -136.19 149.73 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 24.7 t -116.14 145.99 21.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.339 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.478 HG21 ' CB ' ' A' ' 55' ' ' PHE . 72.6 t -104.84 136.57 37.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -143.68 124.33 14.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.266 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.4 ' O ' ' CG1' ' A' ' 76' ' ' ILE . . . 113.71 29.21 2.95 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.421 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 8.5 mt -101.33 165.2 14.54 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.488 0.758 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.672 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.3 Cg_endo -75.02 168.74 24.15 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 1.0 ' O ' HG23 ' A' ' 53' ' ' VAL . 11.8 tt0 -62.44 144.75 55.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 42.47 45.51 5.45 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.56 1.163 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 1.0 HG23 ' O ' ' A' ' 51' ' ' GLU . 94.8 t -136.7 131.1 47.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.542 0.789 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -99.66 173.58 6.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.829 ' HZ ' HG11 ' A' ' 32' ' ' VAL . 32.5 t80 -86.97 14.89 6.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 111.039 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.447 ' HG3' ' CE1' ' A' ' 61' ' ' TYR . 11.6 pt20 -45.52 169.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.444 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.7 t-80 -50.15 144.83 10.58 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.57 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.696 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.96 -28.56 9.14 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.549 1.815 . . . . 0.0 111.005 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.26 -19.87 2.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 61' ' ' TYR . 40.2 m-80 -89.87 -49.83 6.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.696 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.8 m-30 -37.08 137.0 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' LEU . 3.4 m-20 -71.01 147.17 48.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' ASP . 2.1 tp -39.66 -32.9 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.132 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.402 ' N ' ' C ' ' A' ' 62' ' ' ASP . . . -70.52 -56.29 6.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 56.7 m -53.18 -50.35 64.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.39 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 41.4 mt -48.23 -51.17 26.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.468 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -65.91 -32.53 74.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.405 ' O ' ' N ' ' A' ' 72' ' ' ASN . 50.9 t90 -63.74 -57.64 9.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 108.005 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.536 ' CD1' ' CD2' ' A' ' 61' ' ' TYR . 35.2 mt -45.63 -49.45 4.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.492 ' CD1' HD23 ' A' ' 8' ' ' LEU . 48.8 mt -63.95 -38.22 90.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.14 -7.7 54.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' A' ' 68' ' ' TRP . 5.5 m-80 -144.17 40.41 1.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.525 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 5.7 pttt -85.81 -34.25 21.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.79 -19.62 12.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -94.73 -23.56 20.55 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.46 ' CD1' HG23 ' A' ' 69' ' ' ILE . 67.6 mt -73.03 122.95 26.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 0.784 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.9 p -141.29 139.79 33.73 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 110.032 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.802 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -95.22 108.18 20.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 110.952 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.511 HD13 ' N ' ' A' ' 79' ' ' ILE . 4.3 mm -82.27 90.08 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.598 HD13 HG22 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -65.24 144.03 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.152 . . . . 0.0 109.334 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -129.54 -45.78 1.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -168.03 156.5 8.31 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 179.4 6.12 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.501 1.79 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.566 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 41.1 m-85 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.98 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.463 ' CD2' ' HG3' ' A' ' 67' ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.479 ' CD ' ' HA ' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -38.37 -53.79 1.49 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -63.89 -52.48 59.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -39.74 -42.38 1.24 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.535 HG12 ' CE2' ' A' ' 16' ' ' PHE . 96.8 t -67.91 -59.05 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.46 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 2.4 mt-10 -51.87 -25.34 7.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.265 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -74.65 -29.3 61.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.511 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 78.6 t80 -80.85 -61.81 1.85 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.098 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.535 ' CE2' HG12 ' A' ' 12' ' ' VAL . 6.1 m-85 -36.36 -36.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.994 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 70.9 m -65.34 -65.15 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 108.289 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -40.73 -31.63 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.0 m -67.38 -63.74 1.0 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 108.301 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.592 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 5.9 t80 -49.26 -37.66 24.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.6 ' O ' HG22 ' A' ' 26' ' ' THR . . . -70.31 -36.54 70.36 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.472 1.108 . . . . 0.0 110.954 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -71.41 -25.52 62.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 0.794 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.17 -46.81 12.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.525 HD11 ' CD2' ' A' ' 20' ' ' TYR . 4.4 mt -58.72 -21.39 54.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.15 30.97 18.42 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 111.023 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.6 HG22 ' O ' ' A' ' 21' ' ' GLY . 5.7 t -106.19 171.42 7.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.752 . . . . 0.0 110.399 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.601 ' O ' HG22 ' A' ' 27' ' ' THR . 18.4 m -112.99 20.86 15.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.407 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.469 HG22 ' OG1' ' A' ' 26' ' ' THR . 15.4 m -134.16 -177.69 2.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 61.7 mtp -92.77 135.17 34.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.524 HG12 ' CD2' ' A' ' 20' ' ' TYR . 46.5 t -116.4 137.47 23.58 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 18.3 Cg_endo -75.01 106.66 2.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.467 1.772 . . . . 0.0 110.991 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.811 HG11 ' CZ ' ' A' ' 55' ' ' PHE . 56.0 t -51.19 117.33 8.77 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.256 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.592 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -75.07 74.66 3.97 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.458 1.767 . . . . 0.0 110.963 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.525 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 95.1 m-85 -52.29 -64.52 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -38.46 -38.85 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.526 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 5.8 mtpt -70.09 -69.38 0.36 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 79.7 mtp -47.82 -48.28 30.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.6 mt -53.53 -49.83 66.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -61.8 -56.14 22.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.65 125.08 35.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -95.22 18.8 11.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.83 29.24 3.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.021 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -121.22 -54.41 2.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 109.342 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.567 HG22 HD13 ' A' ' 80' ' ' ILE . 10.8 t -135.92 142.84 37.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.6 t -109.67 147.36 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.492 HG21 ' CB ' ' A' ' 55' ' ' PHE . 79.3 t -106.89 138.72 31.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -145.25 126.97 15.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 110.258 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.73 31.06 3.05 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.561 1.163 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 49' ' ' LEU . 7.0 mt -102.66 165.15 14.25 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.692 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.3 Cg_endo -75.02 172.25 16.74 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.521 1.801 . . . . 0.0 110.946 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 1.022 ' O ' HG23 ' A' ' 53' ' ' VAL . 25.3 tt0 -62.63 146.2 52.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 110.331 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 38.07 48.18 2.01 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.538 1.149 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 1.022 HG23 ' O ' ' A' ' 51' ' ' GLU . 92.8 t -136.82 131.94 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -101.36 172.55 6.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.153 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.811 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 33.4 t80 -85.05 13.3 6.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 57' ' ' HIS . 13.3 pt20 -49.61 162.47 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.451 ' ND1' ' OE1' ' A' ' 59' ' ' GLU . 1.7 t-80 -39.96 142.33 0.7 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.578 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.691 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -75.02 -27.8 9.67 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.447 1.762 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.479 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 12.2 pt-20 -50.39 -20.9 1.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 61' ' ' TYR . 56.6 m-80 -89.02 -48.23 7.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.691 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.8 m-30 -36.83 147.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' LEU . 3.5 m-20 -82.54 148.97 27.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' ASP . 16.8 tp -39.86 -36.41 0.45 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.99 -56.72 7.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.107 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 73.1 m -52.13 -48.35 64.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.427 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 53.9 mt -53.04 -55.11 26.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.463 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -63.52 -28.25 69.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.428 ' O ' ' N ' ' A' ' 71' ' ' GLU . 72.5 t90 -68.24 -63.02 1.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 107.979 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.888 HG23 ' CD1' ' A' ' 76' ' ' ILE . 75.1 mt -42.11 -49.72 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.454 ' CD1' HD23 ' A' ' 8' ' ' LEU . 90.8 mt -60.69 -43.03 98.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 68' ' ' TRP . 0.8 OUTLIER -68.3 -17.49 64.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -135.56 45.81 2.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.511 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 0.7 OUTLIER -81.19 -41.89 21.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.91 -25.6 3.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -83.46 -27.43 39.45 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.46 1.1 . . . . 0.0 110.984 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.888 ' CD1' HG23 ' A' ' 69' ' ' ILE . 37.4 mt -71.53 122.98 24.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 0.779 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.8 p -142.89 135.15 27.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.994 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.529 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -91.14 106.35 18.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.492 HD13 ' N ' ' A' ' 79' ' ' ILE . 4.7 mm -81.37 88.92 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.567 HD13 HG22 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -66.15 131.06 31.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -114.57 -40.19 3.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -174.37 156.64 2.36 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.324 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 178.61 7.04 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.535 1.808 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.526 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 64.6 m-85 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.57 HD22 ' HD2' ' A' ' 67' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 8' ' ' LEU . 2.2 ttm180 -38.04 -48.71 1.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 110.329 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -49.9 65.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -43.85 -47.71 8.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.506 HG12 ' CE2' ' A' ' 16' ' ' PHE . 78.5 t -59.15 -44.92 92.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.454 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 1.8 mm-40 -66.59 -31.18 71.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.321 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.74 -20.93 63.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.561 ' CE2' ' HB2' ' A' ' 73' ' ' LYS . 79.5 t80 -88.4 -62.96 1.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.439 1.087 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.506 ' CE2' HG12 ' A' ' 12' ' ' VAL . 5.7 m-85 -36.14 -40.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 99.4 m -60.47 -63.01 1.45 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.105 . . . . 0.0 108.268 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -40.96 -38.57 0.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.961 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.7 m -62.58 -58.89 5.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 108.296 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.593 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 4.5 t80 -51.94 -40.63 61.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.11 -38.08 92.05 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -70.53 -25.88 63.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 0.754 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.11 -46.14 13.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.585 HD13 HG21 ' A' ' 30' ' ' VAL . 4.4 mt -57.52 -26.02 60.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.62 -8.9 52.0 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.122 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.584 ' OG1' HG22 ' A' ' 28' ' ' VAL . 6.0 t -71.96 168.08 18.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 0.746 . . . . 0.0 110.433 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.2 m -110.63 14.98 22.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.364 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.584 HG22 ' OG1' ' A' ' 26' ' ' THR . 11.0 m -122.96 -178.36 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 60.3 mtp -92.78 127.27 38.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.585 HG21 HD13 ' A' ' 24' ' ' LEU . 53.6 t -110.37 138.95 21.06 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.442 ' HD2' HG13 ' A' ' 30' ' ' VAL . 18.6 Cg_endo -74.95 111.82 3.42 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.49 1.784 . . . . 0.0 111.063 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.839 HG11 ' CZ ' ' A' ' 55' ' ' PHE . 49.5 t -56.95 116.45 13.37 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.593 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.4 Cg_endo -74.99 81.17 2.26 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.455 1.766 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.411 ' O ' ' C ' ' A' ' 35' ' ' GLU . 35.7 m-85 -58.42 -62.81 1.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -38.26 -32.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.551 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 16.9 mttm -76.73 -67.76 0.67 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.521 ' HE3' ' CE2' ' A' ' 78' ' ' PHE . 61.0 mtp -48.58 -37.12 17.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.2 mt -64.46 -41.55 96.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.3 mtt180 -71.15 -53.49 14.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -128.89 120.84 26.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -93.26 18.27 9.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 m -101.01 30.29 4.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 110.001 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -116.57 -60.74 1.82 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.771 HG11 ' CD2' ' A' ' 78' ' ' PHE . 13.2 t -133.21 142.05 43.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.4 t -104.42 154.82 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.523 HG21 ' CB ' ' A' ' 55' ' ' PHE . 74.3 t -113.6 138.97 41.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -144.93 127.82 16.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.58 33.32 2.7 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 49' ' ' LEU . 7.6 mt -105.31 164.44 15.09 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.477 0.751 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.485 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.2 Cg_endo -75.02 156.96 42.91 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.5 1.79 . . . . 0.0 110.977 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -57.33 132.26 52.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 59.34 50.45 67.59 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.485 HG11 ' HG2' ' A' ' 50' ' ' PRO . 99.0 t -148.6 130.08 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 0.747 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.38 174.52 6.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.839 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 37.9 t80 -86.26 14.73 6.06 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -47.75 163.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.262 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.409 ' ND1' ' HD2' ' A' ' 58' ' ' PRO . 1.7 t-80 -42.77 143.26 1.22 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 109.589 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.692 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -74.99 -28.34 9.26 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.531 1.806 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.4 -20.59 1.84 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 61' ' ' TYR . 29.2 m-80 -89.26 -48.3 7.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.692 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.5 m-30 -37.06 146.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 63' ' ' LEU . 1.2 m-20 -82.2 152.98 26.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.462 ' CD1' ' HE3' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -39.71 -48.86 2.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 68' ' ' TRP . . . -56.74 -58.31 8.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 88.7 m -50.32 -53.81 26.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.445 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 44.0 mt -47.96 -52.29 20.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.57 ' HD2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -67.61 -28.73 67.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.328 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.441 ' N ' ' O ' ' A' ' 64' ' ' ALA . 57.4 t90 -66.61 -57.92 6.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 107.988 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.738 HG23 ' CD1' ' A' ' 76' ' ' ILE . 48.9 mt -47.76 -46.07 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.498 ' CD1' HD23 ' A' ' 8' ' ' LEU . 61.0 mt -64.98 -39.75 93.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.244 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.23 -13.12 61.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.122 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -141.32 43.34 1.77 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.561 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . 11.5 pttp -80.97 -41.67 22.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.43 -22.35 2.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -87.44 -24.66 35.7 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.738 ' CD1' HG23 ' A' ' 69' ' ' ILE . 42.8 mt -72.41 121.82 23.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.469 0.747 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.6 m -138.33 142.8 39.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.985 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.771 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -101.27 109.37 21.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 111.032 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.471 ' N ' HD13 ' A' ' 79' ' ' ILE . 5.2 mm -83.36 90.2 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.625 HD13 HG22 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -64.85 139.46 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -125.61 -46.84 1.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.1 ptt180 -167.16 156.58 9.58 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.27 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 178.58 7.07 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.449 1.763 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.551 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 49.5 m-85 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.96 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.563 HD22 ' HD2' ' A' ' 67' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 8' ' ' LEU . 14.1 ttp180 -37.93 -52.6 1.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -50.33 71.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -44.97 -43.33 8.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.511 HG12 ' CE2' ' A' ' 16' ' ' PHE . 74.8 t -61.65 -50.87 78.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.477 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 3.0 mt-10 -57.3 -36.41 71.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 110.331 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -60.58 -40.05 90.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.515 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 67.1 t80 -67.84 -64.67 0.81 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 110.99 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.511 ' CE2' HG12 ' A' ' 12' ' ' VAL . 6.9 m-85 -36.03 -45.18 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 77.4 m -62.45 -55.01 31.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 108.317 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 15' ' ' TYR . 1.1 t80 -50.87 -30.52 14.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.6 m -69.69 -57.16 5.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 108.266 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.579 ' CD2' HD11 ' A' ' 24' ' ' LEU . 2.9 t80 -54.45 -38.74 66.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.25 -35.0 76.1 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt -73.8 -25.63 60.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 0.743 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.74 -45.3 13.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.68 HD13 HG21 ' A' ' 30' ' ' VAL . 3.9 mt -58.97 -33.64 70.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.58 26.26 7.31 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.652 ' OG1' HG22 ' A' ' 28' ' ' VAL . 4.4 t -107.2 162.97 13.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.77 . . . . 0.0 110.405 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.5 m -105.14 21.76 16.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.41 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.652 HG22 ' OG1' ' A' ' 26' ' ' THR . 19.8 m -131.21 -177.96 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.3 mtm -95.64 133.51 39.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.969 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.68 HG21 HD13 ' A' ' 24' ' ' LEU . 58.8 t -111.11 139.26 21.65 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.479 ' HD2' HG13 ' A' ' 30' ' ' VAL . 18.3 Cg_endo -74.98 92.55 0.98 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.481 1.779 . . . . 0.0 110.973 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.734 HG11 ' HZ ' ' A' ' 55' ' ' PHE . 56.1 t -40.2 115.52 1.14 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.57 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -75.06 82.2 2.07 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.515 1.798 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.499 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 94.6 m-85 -59.53 -63.76 1.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -38.92 -39.13 0.5 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 110.334 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.562 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 1.3 mtpp -67.75 -69.23 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.525 ' HE3' ' CE2' ' A' ' 78' ' ' PHE . 77.9 mtp -49.22 -41.8 38.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 111.038 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.3 mt -59.71 -49.08 79.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.2 mtt180 -62.99 -53.85 47.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -132.68 125.77 31.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 109.273 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -96.48 19.02 12.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.324 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 m -95.55 27.15 3.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.967 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -119.48 -52.64 2.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.813 HG11 ' CD2' ' A' ' 78' ' ' PHE . 5.9 t -137.53 151.94 26.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 27.2 t -119.31 145.01 26.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.574 HG21 ' CB ' ' A' ' 55' ' ' PHE . 79.3 t -104.09 137.24 33.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -144.74 125.77 14.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.261 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 112.66 31.42 2.55 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.414 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 7.7 mt -103.2 164.47 15.42 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.472 0.748 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.426 ' HG2' HG21 ' A' ' 53' ' ' VAL . 18.3 Cg_endo -74.96 157.28 43.03 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.591 1.837 . . . . 0.0 110.981 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -59.23 129.11 40.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 110.289 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 65.31 48.99 63.63 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.56 1.162 . . . . 0.0 111.049 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.426 HG21 ' HG2' ' A' ' 50' ' ' PRO . 85.7 t -150.23 135.48 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.441 0.73 . . . . 0.0 109.321 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -103.17 178.35 4.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.734 ' HZ ' HG11 ' A' ' 32' ' ' VAL . 45.5 t80 -88.78 15.1 8.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -50.9 166.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.418 ' ND1' ' OE2' ' A' ' 59' ' ' GLU . 1.7 t-80 -43.3 142.11 1.73 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.589 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.685 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.95 -28.54 9.17 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.419 1.747 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.418 ' OE2' ' ND1' ' A' ' 57' ' ' HIS . 12.4 pt-20 -49.6 -21.88 1.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 61' ' ' TYR . 32.1 m-80 -88.67 -48.21 7.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.685 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.1 m-30 -37.01 139.32 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 111.012 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 63' ' ' LEU . 2.5 m-20 -74.44 150.97 39.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.457 ' CD2' ' HE2' ' A' ' 67' ' ' LYS . 1.3 tp -39.24 -51.45 1.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 68' ' ' TRP . . . -54.67 -54.31 43.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 83.7 m -53.47 -55.32 26.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.423 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 44.1 mt -47.0 -49.45 20.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.361 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.563 ' HD2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -69.37 -29.49 67.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.408 ' N ' ' O ' ' A' ' 64' ' ' ALA . 61.3 t90 -65.78 -58.52 5.45 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.816 HG23 ' CD1' ' A' ' 76' ' ' ILE . 68.4 mt -46.01 -49.92 4.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.42 ' CD1' HD23 ' A' ' 8' ' ' LEU . 70.5 mt -60.89 -43.5 98.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.45 -18.41 65.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -135.72 46.78 2.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.15 . . . . 0.0 109.321 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 1.5 ptmm? -82.35 -43.4 17.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.95 -23.47 2.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -83.76 -27.0 39.79 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.467 1.104 . . . . 0.0 111.004 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.816 ' CD1' HG23 ' A' ' 69' ' ' ILE . 57.7 mt -72.19 122.85 25.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.529 0.782 . . . . 0.0 109.308 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.8 m -141.73 135.15 29.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.001 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.813 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -92.01 108.09 19.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.48 HD13 ' N ' ' A' ' 79' ' ' ILE . 4.8 mm -83.55 91.08 2.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.625 HD13 HG22 ' A' ' 44' ' ' VAL . 0.9 OUTLIER -65.77 150.88 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -137.29 -47.34 0.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 109.247 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -164.3 156.3 14.31 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.276 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -176.05 2.68 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.458 1.767 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.562 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 27.5 m-85 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.468 ' CD2' ' HG3' ' A' ' 67' ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.7 mtm180 -43.43 -45.99 6.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 13' ' ' GLU . 10.2 mmtm -70.39 -52.59 21.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -40.64 -53.14 2.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.476 HG12 ' CE2' ' A' ' 16' ' ' PHE . 83.1 t -54.33 -44.33 65.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.466 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 2.6 mt-10 -68.75 -30.21 68.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -74.74 -16.36 60.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 33.1 t80 -92.06 -60.73 1.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.476 ' CE2' HG12 ' A' ' 12' ' ' VAL . 4.1 m-85 -37.63 -39.56 0.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 89.8 m -64.12 -53.51 48.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 108.288 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.463 ' N ' ' O ' ' A' ' 15' ' ' TYR . 1.5 t80 -49.55 -28.21 5.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.0 m -73.92 -58.99 2.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 108.28 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.592 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 4.6 t80 -53.22 -35.85 60.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.35 -35.4 60.09 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.4 mttm -73.6 -26.44 60.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 0.736 . . . . 0.0 109.268 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.8 -44.61 15.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.353 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.685 HD13 HG21 ' A' ' 30' ' ' VAL . 5.5 mt -59.3 -32.43 70.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.138 . . . . 0.0 109.297 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.27 28.13 7.36 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.589 ' OG1' HG22 ' A' ' 28' ' ' VAL . 14.9 t -109.65 152.58 25.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 110.386 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.7 p -94.01 23.53 4.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 110.413 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.589 HG22 ' OG1' ' A' ' 26' ' ' THR . 27.0 m -132.73 -174.63 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.7 mtm -99.75 131.82 45.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.685 HG21 HD13 ' A' ' 24' ' ' LEU . 59.1 t -109.41 138.38 20.52 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.456 ' HD2' HG13 ' A' ' 30' ' ' VAL . 18.2 Cg_endo -75.03 101.06 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.476 1.777 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.734 HG11 ' CZ ' ' A' ' 55' ' ' PHE . 51.5 t -47.66 113.75 2.78 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.592 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -75.02 83.97 1.74 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.485 1.782 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.446 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 96.4 m-85 -60.16 -64.92 0.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 111.034 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -36.66 -40.16 0.24 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.554 1.159 . . . . 0.0 110.317 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.549 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 67.4 mttt -69.47 -69.12 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.539 ' HE3' ' CE2' ' A' ' 78' ' ' PHE . 89.6 mtp -47.7 -37.37 12.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.8 mt -65.48 -51.49 59.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -60.22 -53.12 61.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -130.47 127.67 39.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -98.54 16.19 22.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.246 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.22 27.49 3.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.983 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -118.85 -54.48 2.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.261 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.852 HG11 ' CD2' ' A' ' 78' ' ' PHE . 8.2 t -136.7 152.21 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.273 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.6 t -119.35 150.52 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.554 HG21 ' CB ' ' A' ' 55' ' ' PHE . 69.5 t -110.02 136.65 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -144.94 124.09 12.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.267 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 115.22 30.16 2.35 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.417 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 7.0 mt -101.73 164.55 15.67 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.417 ' HD2' ' HB3' ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.01 158.55 42.1 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.477 1.778 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.61 129.74 43.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 64.17 49.51 66.07 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 89.6 t -150.99 135.86 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.258 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -103.61 -179.88 4.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.734 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 44.6 t80 -89.88 14.75 11.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -49.6 165.77 0.06 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.403 ' ND1' ' HD2' ' A' ' 58' ' ' PRO . 1.7 t-80 -44.28 143.11 2.04 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.568 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.688 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.0 -29.0 8.69 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 0.0 110.99 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -48.8 -22.5 0.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 61' ' ' TYR . 32.1 m-80 -87.58 -49.34 7.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.688 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.1 m-30 -37.35 144.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 65' ' ' THR . 1.8 m-20 -78.38 147.65 34.01 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.4 tp -40.27 -36.69 0.55 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.2 -54.08 24.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 62' ' ' ASP . 93.5 m -54.83 -51.03 67.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.364 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 38.9 mt -48.6 -50.51 32.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.468 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -67.15 -31.52 72.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 63.3 t90 -64.94 -58.64 5.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 107.99 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.881 HG23 ' CD1' ' A' ' 76' ' ' ILE . 73.3 mt -45.08 -52.12 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 90.2 mt -59.99 -43.35 95.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.262 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.91 -17.61 64.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.251 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -136.04 45.3 2.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 1.7 ptmm? -81.04 -42.14 21.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.73 -23.74 2.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.63 -28.28 32.88 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.494 1.121 . . . . 0.0 111.017 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.881 ' CD1' HG23 ' A' ' 69' ' ' ILE . 60.7 mt -72.23 119.72 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 0.778 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 m -138.05 136.87 37.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.852 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -93.62 110.82 22.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.945 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.496 HD13 ' N ' ' A' ' 79' ' ' ILE . 4.7 mm -84.25 91.04 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.579 1.174 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.596 HD13 HG22 ' A' ' 44' ' ' VAL . 0.8 OUTLIER -68.58 142.45 16.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -129.39 -45.89 1.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -163.47 155.4 15.04 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 176.55 9.77 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.523 1.802 . . . . 0.0 110.951 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.549 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 45.1 m-85 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 111.032 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.45 ' CD2' ' HG3' ' A' ' 67' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 8' ' ' LEU . 11.8 ttp180 -38.33 -55.5 1.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 13' ' ' GLU . 0.4 OUTLIER -58.79 -49.72 76.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 8' ' ' LEU . . . -46.47 -46.1 18.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.598 HG11 ' HB3' ' A' ' 58' ' ' PRO . 49.4 t -60.18 -36.69 69.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.47 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 2.3 mt-10 -72.9 -39.36 66.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.334 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.34 -21.53 66.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 44.9 t80 -83.51 -66.76 0.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.945 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.428 ' CD1' ' HE1' ' A' ' 55' ' ' PHE . 6.6 m-85 -36.71 -37.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.953 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 78.6 m -64.04 -67.02 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 108.324 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -40.55 -33.85 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 62.6 m -65.89 -60.67 2.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 108.299 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.587 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 4.9 t80 -52.93 -36.47 59.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.63 ' O ' HG22 ' A' ' 26' ' ' THR . . . -71.76 -33.35 63.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -75.56 -26.55 58.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.759 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.87 -44.91 14.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.564 HD13 HG21 ' A' ' 30' ' ' VAL . 5.4 mt -57.66 -27.06 62.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.85 31.08 7.95 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.63 HG22 ' O ' ' A' ' 21' ' ' GLY . 9.0 t -110.14 168.4 9.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 0.756 . . . . 0.0 110.411 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.626 ' O ' HG22 ' A' ' 27' ' ' THR . 8.4 m -109.12 20.98 17.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.369 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.451 HG22 ' OG1' ' A' ' 26' ' ' THR . 14.8 m -133.34 -176.73 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 80.6 mtp -94.65 136.24 35.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.564 HG21 HD13 ' A' ' 24' ' ' LEU . 62.0 t -116.41 137.27 23.43 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 18.4 Cg_endo -74.97 105.69 2.13 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.535 1.808 . . . . 0.0 111.036 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.734 HG11 ' HZ ' ' A' ' 55' ' ' PHE . 55.7 t -51.62 114.48 5.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.587 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -75.0 81.43 2.21 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.462 1.769 . . . . 0.0 111.035 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.461 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 97.0 m-85 -57.6 -64.76 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 34' ' ' TYR . 2.2 tp10 -37.18 -39.06 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.473 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 15.0 mttm -71.13 -69.01 0.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.518 ' HE3' ' CE2' ' A' ' 78' ' ' PHE . 90.0 mtp -47.19 -38.37 11.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.7 mt -65.83 -48.51 71.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.247 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.9 mtt-85 -63.36 -50.18 70.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.338 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.57 124.81 30.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -97.51 17.22 18.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.3 26.86 5.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.961 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -116.84 -52.93 2.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.843 HG11 ' CD2' ' A' ' 78' ' ' PHE . 10.5 t -139.44 152.12 23.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.6 t -117.88 155.61 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.509 HG21 ' CB ' ' A' ' 55' ' ' PHE . 75.2 t -114.76 135.05 55.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -142.76 125.17 15.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.273 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.36 27.6 3.58 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.42 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 7.9 mt -99.41 165.1 15.39 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.499 0.764 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.654 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.2 Cg_endo -75.02 172.5 16.24 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.447 1.762 . . . . 0.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 1.012 ' O ' HG23 ' A' ' 53' ' ' VAL . 6.0 tt0 -64.56 144.16 57.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 41.78 46.01 4.79 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.466 1.104 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 1.012 HG23 ' O ' ' A' ' 51' ' ' GLU . 95.3 t -136.65 129.34 45.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 0.781 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.79 177.02 5.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.734 ' HZ ' HG11 ' A' ' 32' ' ' VAL . 34.2 t80 -89.6 15.15 9.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.983 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.482 ' HG3' ' CE1' ' A' ' 61' ' ' TYR . 8.6 pt20 -46.87 170.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.521 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.5 t-80 -50.58 147.1 8.52 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.617 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.68 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -74.98 -31.8 5.93 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.485 1.782 . . . . 0.0 111.033 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -49.17 -22.02 0.89 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -88.13 -49.68 6.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.68 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.6 m-30 -38.37 139.25 0.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 63' ' ' LEU . 4.8 m-20 -73.44 149.67 42.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 62' ' ' ASP . 19.1 tp -39.37 -43.14 1.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.89 -55.85 25.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 90.3 m -52.32 -52.08 55.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 110.407 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 44.7 mt -49.19 -53.06 23.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.45 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -63.88 -31.52 72.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.445 ' O ' ' N ' ' A' ' 71' ' ' GLU . 62.4 t90 -65.92 -60.84 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.516 ' CD1' ' CD2' ' A' ' 61' ' ' TYR . 40.1 mt -41.43 -52.95 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 109.312 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.03 -40.73 90.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 68' ' ' TRP . 0.2 OUTLIER -70.34 -10.77 59.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.336 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -142.6 42.67 1.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 11.9 pttp -82.27 -38.37 24.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.0 -29.39 43.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.96 -26.9 52.08 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.472 1.108 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.467 ' CD1' HG23 ' A' ' 69' ' ' ILE . 69.9 mt -72.59 123.1 26.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.757 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.0 m -140.46 141.06 35.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.967 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.843 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -97.14 112.72 24.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.955 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.457 ' N ' HD13 ' A' ' 79' ' ' ILE . 5.5 mm -85.1 91.21 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.611 HD13 HG22 ' A' ' 44' ' ' VAL . 0.7 OUTLIER -68.88 134.07 30.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -119.46 -47.73 2.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.7 ptt180 -163.82 156.15 15.1 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.295 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -178.32 4.09 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.502 1.791 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.473 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 47.6 m-85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.47 ' CD2' ' HG3' ' A' ' 67' ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.1 mtm180 -40.25 -50.08 2.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.253 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 13' ' ' GLU . 5.7 mmtm -65.17 -52.37 55.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -42.93 -44.69 4.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.158 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.549 HG11 ' HB3' ' A' ' 58' ' ' PRO . 54.5 t -62.68 -42.83 97.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.474 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 1.7 mm-40 -68.07 -38.45 82.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.261 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' A' ' 14' ' ' ASP . 45.5 t0 -58.96 -32.9 70.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.422 ' O ' ' C ' ' A' ' 16' ' ' PHE . 58.8 t80 -74.81 -66.32 0.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.43 ' CE2' HG12 ' A' ' 12' ' ' VAL . 7.6 m-85 -36.35 -38.54 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 75.2 m -63.29 -61.18 2.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 108.325 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.49 -38.46 9.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.963 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 31.2 m -57.68 -65.95 0.55 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 108.31 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.613 ' O ' HD12 ' A' ' 24' ' ' LEU . 2.7 t80 -49.5 -36.96 24.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.517 ' O ' HG22 ' A' ' 26' ' ' THR . . . -71.41 -36.14 63.1 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.527 1.142 . . . . 0.0 110.956 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -73.14 -26.42 61.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.86 -46.07 13.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.613 HD12 ' O ' ' A' ' 20' ' ' TYR . 4.6 mt -57.79 -27.7 63.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.73 29.17 10.18 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.517 1.136 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.517 HG22 ' O ' ' A' ' 21' ' ' GLY . 7.7 t -105.83 170.35 7.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 110.4 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 43.9 m -110.74 13.9 22.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.141 . . . . 0.0 110.411 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.51 HG22 ' OG1' ' A' ' 26' ' ' THR . 16.2 m -124.88 -176.74 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 72.6 mtp -94.37 134.01 37.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.945 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.563 HG21 HD13 ' A' ' 24' ' ' LEU . 24.7 t -113.49 133.65 22.13 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 18.2 Cg_endo -75.01 99.69 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.518 1.799 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.816 HG11 ' CZ ' ' A' ' 55' ' ' PHE . 46.0 t -46.83 117.21 4.37 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.595 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.4 Cg_endo -74.99 84.2 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.464 1.77 . . . . 0.0 110.963 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.445 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 93.4 m-85 -61.25 -64.58 0.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -38.22 -39.03 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.445 ' HB3' ' CD2' ' A' ' 84' ' ' PHE . 18.5 mttm -67.66 -69.27 0.33 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 73.8 mtp -49.86 -46.19 51.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 16.3 mt -53.89 -45.05 70.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -68.5 -53.04 25.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 110.244 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -134.66 121.12 20.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -92.3 19.68 6.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.5 m -93.75 24.37 4.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 110.01 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -117.67 -52.31 2.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.72 HG11 ' CD2' ' A' ' 78' ' ' PHE . 5.2 t -135.7 153.18 32.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.1 t -120.28 142.0 38.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.526 HG21 ' CB ' ' A' ' 55' ' ' PHE . 71.8 t -101.82 137.7 28.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -144.13 129.02 18.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 110.346 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.16 32.15 3.58 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.412 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 6.8 mt -103.0 165.03 14.36 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.509 0.77 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.617 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.4 Cg_endo -74.99 170.01 21.37 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.504 1.792 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.596 ' O ' HG23 ' A' ' 53' ' ' VAL . 2.8 tt0 -66.6 137.7 56.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 110.261 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 50.82 46.08 48.85 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.617 HG11 ' HG2' ' A' ' 50' ' ' PRO . 77.9 t -140.23 129.09 26.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 0.0 109.282 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -98.03 171.7 8.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.816 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 28.9 t80 -84.22 12.32 6.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 111.049 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -47.62 163.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 110.306 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.455 ' ND1' ' OE1' ' A' ' 59' ' ' GLU . 1.7 t-80 -41.06 143.49 0.74 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.617 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.691 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -75.0 -28.63 9.01 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.48 1.779 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.455 ' OE1' ' ND1' ' A' ' 57' ' ' HIS . 9.9 pt-20 -49.91 -21.33 1.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 61' ' ' TYR . 54.0 m-80 -88.65 -48.26 7.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.691 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.9 m-30 -37.38 144.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.408 ' C ' ' N ' ' A' ' 64' ' ' ALA . 1.5 m-20 -77.84 148.05 34.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.8 tp -40.14 -32.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.408 ' N ' ' C ' ' A' ' 62' ' ' ASP . . . -70.6 -59.98 2.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 76.6 m -49.89 -49.66 48.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.384 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.416 ' CD2' HG21 ' A' ' 12' ' ' VAL . 47.1 mt -49.12 -53.46 20.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.47 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -66.71 -28.49 68.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.352 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 66.9 t90 -67.24 -60.27 2.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 108.051 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.85 HG23 ' CD1' ' A' ' 76' ' ' ILE . 58.5 mt -44.31 -50.53 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.0 mt -60.74 -43.73 97.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -18.57 65.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -137.51 46.86 2.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.237 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 76' ' ' ILE . 1.0 OUTLIER -80.4 -43.27 21.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.91 -22.55 2.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.8 -26.89 36.44 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.85 ' CD1' HG23 ' A' ' 69' ' ' ILE . 40.5 mt -72.28 124.32 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 109.255 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.0 m -142.31 137.2 30.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.965 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.72 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -93.83 102.88 15.01 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.456 HD13 ' N ' ' A' ' 79' ' ' ILE . 5.1 mm -81.48 89.65 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.689 ' CD1' HG22 ' A' ' 44' ' ' VAL . 1.2 mm -61.75 155.45 4.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -138.71 -47.64 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.83 156.83 19.94 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 110.274 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 175.63 10.99 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.455 1.766 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.445 ' CD2' ' HB3' ' A' ' 36' ' ' LYS . 26.4 m-85 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.442 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 8' ' ' LEU . 9.7 ttp180 -38.21 -54.06 1.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.338 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -59.97 -47.08 87.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 8' ' ' LEU . . . -48.18 -44.46 32.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.439 HG12 ' CE2' ' A' ' 16' ' ' PHE . 78.6 t -63.93 -38.5 82.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.473 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 1.8 mt-10 -70.79 -39.76 72.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -67.02 -19.99 65.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 33.1 t80 -85.34 -64.39 1.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 111.023 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.439 ' CE2' HG12 ' A' ' 12' ' ' VAL . 4.4 m-85 -37.23 -34.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 75.2 m -66.69 -66.28 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.416 1.072 . . . . 0.0 108.266 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -38.49 -32.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 111.039 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.9 m -67.55 -67.86 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 108.255 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.58 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 4.9 t80 -45.72 -33.46 3.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.415 ' O ' HG22 ' A' ' 26' ' ' THR . . . -74.53 -36.19 49.75 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -71.27 -25.03 62.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.7 -44.92 12.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.618 HD13 HG21 ' A' ' 30' ' ' VAL . 6.3 mt -57.94 -29.17 64.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.1 28.22 10.14 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.514 1.133 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.512 ' OG1' HG22 ' A' ' 28' ' ' VAL . 7.7 t -105.76 168.79 8.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 0.744 . . . . 0.0 110.371 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 36.0 p -110.06 16.83 21.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 110.413 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.512 HG22 ' OG1' ' A' ' 26' ' ' THR . 15.6 m -128.2 -173.02 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 71.5 mtp -97.91 133.12 42.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 111.039 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.618 HG21 HD13 ' A' ' 24' ' ' LEU . 43.9 t -111.64 135.08 21.12 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 18.2 Cg_endo -74.91 99.97 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.471 1.774 . . . . 0.0 110.984 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.796 HG11 ' CZ ' ' A' ' 55' ' ' PHE . 55.9 t -46.43 115.35 3.09 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.58 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -74.98 82.26 2.04 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.481 1.78 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.433 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 95.7 m-85 -58.12 -66.67 0.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 34' ' ' TYR . 2.6 tp10 -36.58 -41.45 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.354 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.462 ' HB3' ' CD2' ' A' ' 84' ' ' PHE . 59.1 mttt -66.85 -68.82 0.35 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.43 ' HE3' ' CE2' ' A' ' 78' ' ' PHE . 77.9 mtp -47.6 -44.24 26.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 111.05 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.0 mt -59.5 -44.39 93.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.331 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -53.2 35.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -132.57 124.29 28.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -95.34 19.26 11.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -96.58 27.82 3.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -119.62 -57.97 1.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.349 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.883 HG11 ' CD2' ' A' ' 78' ' ' PHE . 10.5 t -133.31 151.48 33.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.0 t -118.94 150.44 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.567 HG21 ' CB ' ' A' ' 55' ' ' PHE . 76.2 t -109.45 137.19 42.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.332 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -144.33 126.72 15.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.3 30.0 3.27 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.526 1.141 . . . . 0.0 110.971 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.417 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 8.3 mt -100.8 165.02 15.03 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.767 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.47 ' HG2' HG21 ' A' ' 53' ' ' VAL . 18.5 Cg_endo -74.97 161.9 38.08 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.5 1.79 . . . . 0.0 111.046 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -63.08 131.64 49.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.333 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 62.3 47.51 89.14 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.442 1.088 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.47 HG21 ' HG2' ' A' ' 50' ' ' PRO . 97.8 t -146.4 141.28 21.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 0.773 . . . . 0.0 109.255 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -109.7 175.21 5.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.796 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 39.8 t80 -86.31 15.33 5.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -50.3 164.22 0.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.467 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.6 t-80 -43.61 145.59 1.11 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.548 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.687 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.1 Cg_endo -75.02 -32.17 5.58 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.442 1.759 . . . . 0.0 110.956 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.59 -23.68 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 110.253 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 61' ' ' TYR . 47.6 m-80 -86.39 -49.39 7.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.687 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.2 m-30 -37.59 135.78 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.433 ' C ' ' N ' ' A' ' 64' ' ' ALA . 0.7 OUTLIER -70.24 146.46 50.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 62' ' ' ASP . 15.9 tp -39.49 -30.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 62' ' ' ASP . . . -72.59 -57.0 4.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 52.7 m -52.14 -48.3 64.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.115 . . . . 0.0 110.419 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 43.6 mt -50.14 -54.38 21.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -30.42 71.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.251 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 58.7 t90 -66.26 -57.28 7.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 107.994 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.818 HG23 ' CD1' ' A' ' 76' ' ' ILE . 80.4 mt -46.26 -52.04 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.439 ' CD1' HD23 ' A' ' 8' ' ' LEU . 70.9 mt -59.39 -42.51 91.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.9 -17.88 65.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -138.41 47.85 1.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 1.4 ptmm? -83.16 -44.15 15.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.17 -26.43 4.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.55 -29.54 43.55 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.818 ' CD1' HG23 ' A' ' 69' ' ' ILE . 66.4 mt -72.19 117.46 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.434 0.726 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.7 m -133.51 142.45 48.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.995 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.883 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -97.73 110.02 22.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 110.962 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.454 ' N ' HD13 ' A' ' 79' ' ' ILE . 5.3 mm -83.92 89.47 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.495 HD13 HG22 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -67.53 147.87 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -134.64 -51.61 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.9 ptt180 -156.73 156.03 29.34 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 176.07 10.41 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.518 1.799 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.462 ' CD2' ' HB3' ' A' ' 36' ' ' LYS . 23.3 m-85 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.483 HD23 ' CD1' ' A' ' 70' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.491 ' CD ' ' HA ' ' A' ' 59' ' ' GLU . 5.1 ttp180 -39.96 -32.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 110.306 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 13' ' ' GLU . 0.5 OUTLIER -83.39 -50.58 8.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -43.87 -51.42 7.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.569 HG11 ' HB3' ' A' ' 58' ' ' PRO . 57.2 t -52.42 -38.3 25.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.473 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 2.8 mt-10 -73.54 -37.17 65.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.4 -16.74 64.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.524 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 45.2 t80 -89.74 -64.47 1.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.424 ' CD1' ' HE1' ' A' ' 55' ' ' PHE . 6.2 m-85 -37.89 -42.52 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.138 . . . . 0.0 110.994 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 83.4 m -60.47 -58.53 8.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 108.275 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -47.47 -35.81 9.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 13.5 m -65.13 -62.92 1.26 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 108.304 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.587 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 5.0 t80 -49.15 -41.15 35.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.406 ' O ' HG22 ' A' ' 26' ' ' THR . . . -66.59 -41.06 94.25 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.476 1.11 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -67.1 -27.6 67.48 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.517 0.775 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.63 -44.75 15.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.579 HD13 HG21 ' A' ' 30' ' ' VAL . 5.8 mt -58.26 -27.31 63.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.65 23.08 19.52 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.115 . . . . 0.0 110.969 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.454 ' OG1' HG22 ' A' ' 28' ' ' VAL . 14.9 t -102.17 153.04 20.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 0.753 . . . . 0.0 110.429 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.488 ' O ' HG22 ' A' ' 27' ' ' THR . 74.7 m -93.96 23.76 4.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 110.392 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.454 HG22 ' OG1' ' A' ' 26' ' ' THR . 16.5 m -139.23 -179.45 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 76.7 mtp -91.67 137.05 32.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.579 HG21 HD13 ' A' ' 24' ' ' LEU . 59.8 t -115.27 139.01 23.95 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.471 ' HD2' HG13 ' A' ' 30' ' ' VAL . 18.3 Cg_endo -75.03 104.66 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.471 1.774 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.78 HG11 ' CZ ' ' A' ' 55' ' ' PHE . 54.3 t -50.98 116.31 7.08 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.587 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -74.99 78.51 2.87 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.532 1.806 . . . . 0.0 110.993 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.478 ' O ' ' C ' ' A' ' 35' ' ' GLU . 91.9 m-85 -55.13 -70.07 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' A' ' 34' ' ' TYR . 0.7 OUTLIER -32.69 -46.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.257 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 39' ' ' ARG . 30.7 mttt -62.95 -67.73 0.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 87.9 mtp -46.59 -35.97 6.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.8 mt -70.64 -33.72 71.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -74.92 -48.32 25.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -143.49 117.92 9.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -88.98 19.47 4.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.16 27.11 2.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.038 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -121.09 -59.82 1.69 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.891 HG11 ' CD2' ' A' ' 78' ' ' PHE . 4.7 t -126.53 151.2 32.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.348 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 64.0 t -121.35 141.72 40.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.532 HG21 ' CB ' ' A' ' 55' ' ' PHE . 74.3 t -100.64 138.85 23.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -146.07 127.17 14.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.3 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.26 32.04 3.11 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.132 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.42 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 8.7 mt -102.78 165.13 14.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.477 0.751 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.659 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.4 Cg_endo -75.02 168.59 24.49 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.499 1.789 . . . . 0.0 110.972 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.779 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -63.19 142.54 58.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 45.52 46.23 12.17 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 51' ' ' GLU . 71.2 t -137.93 134.18 45.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.758 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -103.76 172.88 6.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 109.259 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.78 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 32.6 t80 -86.02 13.97 6.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 57' ' ' HIS . 13.3 pt20 -48.18 159.8 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.462 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.6 t-80 -39.45 145.44 0.42 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.602 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.696 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.1 Cg_endo -75.04 -31.07 6.46 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.497 1.788 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.491 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 1.4 pp20? -47.83 -23.04 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 110.291 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 61' ' ' TYR . 46.6 m-80 -86.34 -50.0 7.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.696 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.7 m-30 -37.16 143.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 63' ' ' LEU . 0.6 OUTLIER -78.17 150.51 33.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 62' ' ' ASP . 3.7 tp -39.99 -38.63 0.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.433 1.083 . . . . 0.0 109.268 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.35 -54.51 19.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 88.3 m -54.53 -49.15 70.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 110.428 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 46.6 mt -51.3 -52.75 42.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.96 -28.8 68.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.271 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 55.2 t90 -66.07 -58.01 6.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 108.029 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.828 HG23 ' CD1' ' A' ' 76' ' ' ILE . 72.8 mt -46.73 -51.07 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.483 ' CD1' HD23 ' A' ' 8' ' ' LEU . 89.3 mt -59.07 -43.73 91.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.81 -18.05 65.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -135.19 45.18 2.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 1.5 ptmm? -83.32 -41.22 18.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.24 -26.2 6.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.318 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -83.36 -27.66 39.02 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.462 1.101 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.828 ' CD1' HG23 ' A' ' 69' ' ' ILE . 66.2 mt -72.27 123.33 26.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.4 m -141.1 139.05 33.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.976 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.891 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -95.4 104.85 16.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.972 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.522 HD13 ' N ' ' A' ' 79' ' ' ILE . 4.1 mm -80.38 92.19 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.489 HD13 ' HA ' ' A' ' 80' ' ' ILE . 0.4 OUTLIER -69.14 151.43 10.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -137.69 -47.38 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -159.52 156.91 26.09 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 176.34 10.05 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.53 1.805 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.407 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 10.0 m-85 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.447 HD23 ' CD1' ' A' ' 70' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.409 ' HD2' ' CB ' ' A' ' 59' ' ' GLU . 8.9 ttp180 -38.08 -52.1 1.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.294 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 39.0 mmtt -57.61 -53.36 59.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -45.68 -44.54 13.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.548 HG12 ' CE2' ' A' ' 16' ' ' PHE . 91.4 t -61.72 -43.21 96.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.072 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.474 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 1.7 mt-10 -67.06 -43.04 83.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -58.82 -34.59 71.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 73' ' ' LYS . 69.1 t80 -71.04 -64.69 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.548 ' CE2' HG12 ' A' ' 12' ' ' VAL . 6.2 m-85 -36.02 -37.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 79.4 m -64.49 -63.28 1.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 108.309 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -41.42 -38.17 1.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.408 ' O ' ' N ' ' A' ' 22' ' ' LYS . 20.9 m -62.12 -69.16 0.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 108.278 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.587 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 5.0 t80 -41.71 -44.05 3.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.424 ' HA2' HG21 ' A' ' 30' ' ' VAL . . . -62.61 -40.14 98.77 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.436 1.085 . . . . 0.0 111.028 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 19' ' ' CYS . 9.1 mttt -68.38 -24.02 64.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 0.74 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.3 -48.69 10.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.541 HD11 ' CD2' ' A' ' 20' ' ' TYR . 2.3 mt -57.63 -30.6 65.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.61 -15.91 10.51 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.538 ' OG1' HG22 ' A' ' 28' ' ' VAL . 8.8 t -77.75 174.3 11.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 0.75 . . . . 0.0 110.38 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 88.7 m -121.64 2.72 10.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.401 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.538 HG22 ' OG1' ' A' ' 26' ' ' THR . 35.1 m -91.45 -169.73 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.6 mtm -100.9 109.1 21.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 110.98 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.498 HG11 ' CD1' ' A' ' 24' ' ' LEU . 10.7 t -91.65 135.72 27.4 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 32' ' ' VAL . 18.3 Cg_endo -74.97 91.2 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.533 1.807 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.846 HG11 ' HZ ' ' A' ' 55' ' ' PHE . 51.7 t -39.9 115.51 1.09 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.587 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -74.99 84.23 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.559 1.82 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.492 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 81.5 m-85 -60.51 -63.51 1.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.96 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -37.77 -39.07 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.334 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.56 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 14.8 mttm -69.6 -68.79 0.38 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.532 ' CE ' ' CZ ' ' A' ' 78' ' ' PHE . 70.1 mtp -48.81 -45.17 39.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.978 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 26.5 mt -56.92 -49.13 76.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -63.72 -51.74 63.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.334 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -135.9 124.33 23.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -94.3 17.71 12.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.262 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.15 28.57 2.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.01 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -121.77 -55.81 1.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.779 HG11 ' CD2' ' A' ' 78' ' ' PHE . 13.1 t -131.07 146.14 34.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.0 t -112.28 152.07 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.477 HG21 ' CB ' ' A' ' 55' ' ' PHE . 77.0 t -113.41 135.71 52.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -143.34 127.28 17.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 110.308 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.77 32.77 2.8 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 0.0 110.953 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 49' ' ' LEU . 7.0 mt -103.76 165.28 13.76 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.528 0.781 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.609 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.2 Cg_endo -75.03 168.9 23.8 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.501 1.79 . . . . 0.0 110.935 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.58 ' O ' HG23 ' A' ' 53' ' ' VAL . 2.1 tt0 -66.27 136.99 56.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 52.23 45.69 57.54 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.126 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.609 HG11 ' HG2' ' A' ' 50' ' ' PRO . 70.3 t -140.75 130.8 27.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.555 0.797 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -98.39 173.75 6.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.846 ' HZ ' HG11 ' A' ' 32' ' ' VAL . 29.3 t80 -85.46 13.85 6.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -47.04 167.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.4 ' ND1' ' HD2' ' A' ' 58' ' ' PRO . 1.7 t-80 -47.27 143.0 5.36 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.613 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.669 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -75.02 -26.37 10.95 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.409 ' CB ' ' HD2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -52.81 -19.43 2.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 0.0 110.31 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 61' ' ' TYR . 17.0 m-80 -91.87 -47.89 7.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.669 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 17.9 m-30 -35.85 143.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 63' ' ' LEU . 1.2 m-20 -78.29 151.5 32.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.373 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 62' ' ' ASP . 11.3 tp -39.61 -46.12 1.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 68' ' ' TRP . . . -60.02 -57.06 14.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 87.2 m -50.96 -53.06 36.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.365 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 46.0 mt -48.07 -52.51 19.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.268 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.446 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -68.17 -28.71 67.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.443 ' N ' ' O ' ' A' ' 64' ' ' ALA . 56.4 t90 -65.55 -57.89 7.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 108.052 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.735 HG23 ' CD1' ' A' ' 76' ' ' ILE . 50.9 mt -47.26 -47.14 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.447 ' CD1' HD23 ' A' ' 8' ' ' LEU . 84.3 mt -64.16 -40.47 96.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.59 -13.93 62.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -141.03 43.74 1.8 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.572 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . 12.8 pttp -80.91 -42.14 21.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.6 -23.5 2.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -86.39 -25.44 36.32 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.735 ' CD1' HG23 ' A' ' 69' ' ' ILE . 39.7 mt -71.99 121.69 22.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 0.774 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.9 m -141.53 136.73 31.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.988 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.779 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -91.8 106.03 18.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 111.01 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.44 ' N ' HD13 ' A' ' 79' ' ' ILE . 5.7 mm -84.01 95.56 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.729 ' CD1' HG22 ' A' ' 44' ' ' VAL . 1.6 mm -69.61 154.97 7.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -137.28 -48.0 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.98 156.65 15.24 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 177.11 9.04 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.502 1.79 . . . . 0.0 110.978 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.56 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 52.1 m-85 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 111.007 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.472 HD22 ' HD2' ' A' ' 67' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 8' ' ' LEU . 2.3 ttm180 -38.57 -40.72 0.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 13' ' ' GLU . 24.6 tptt -75.25 -49.17 20.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.098 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -42.59 -52.89 4.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.525 HG12 ' CE2' ' A' ' 16' ' ' PHE . 47.9 t -53.43 -41.27 44.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.469 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 2.6 mt-10 -69.58 -36.73 76.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.426 ' O ' ' HE3' ' A' ' 29' ' ' MET . 9.8 t70 -66.83 -23.02 65.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 42.5 t80 -84.65 -63.78 1.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.525 ' CE2' HG12 ' A' ' 12' ' ' VAL . 5.9 m-85 -36.19 -38.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.977 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 71.7 m -60.26 -64.51 0.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 108.286 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -41.84 -37.68 1.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.3 m -62.94 -63.59 1.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 108.284 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.57 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 4.9 t80 -47.59 -32.84 5.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.83 -37.68 50.67 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.558 1.161 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -67.99 -23.72 65.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 0.735 . . . . 0.0 109.266 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.788 ' HB1' ' HB ' ' A' ' 80' ' ' ILE . . . -88.15 -45.38 10.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.633 HD13 HG21 ' A' ' 30' ' ' VAL . 6.0 mt -57.58 -25.21 59.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.09 28.06 19.08 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.446 1.091 . . . . 0.0 110.958 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.453 ' OG1' HG22 ' A' ' 28' ' ' VAL . 7.9 t -104.83 172.83 6.58 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.51 0.771 . . . . 0.0 110.385 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.595 ' O ' HG22 ' A' ' 27' ' ' THR . 18.2 m -113.84 19.18 16.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.385 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.453 HG22 ' OG1' ' A' ' 26' ' ' THR . 18.5 m -132.17 -175.98 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.247 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.426 ' HE3' ' O ' ' A' ' 14' ' ' ASP . 79.2 mtp -95.65 130.25 42.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 110.979 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.633 HG21 HD13 ' A' ' 24' ' ' LEU . 52.7 t -111.02 134.45 21.01 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 18.2 Cg_endo -74.99 107.88 2.59 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.546 1.814 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.724 HG11 ' CZ ' ' A' ' 55' ' ' PHE . 48.4 t -50.79 114.67 4.93 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.57 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -75.02 77.93 3.02 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.774 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.541 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 92.8 m-85 -56.81 -61.97 2.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 34' ' ' TYR . 1.8 tp10 -37.54 -34.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -77.98 -69.13 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.597 1.185 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 14.1 mmm -47.47 -48.65 26.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 110.962 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 38' ' ' LEU . 14.9 mt -49.66 -37.05 26.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.0 mtt180 -76.59 -49.37 16.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -137.3 117.76 13.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.578 1.174 . . . . 0.0 109.253 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -88.92 20.27 3.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.59 25.77 3.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.138 . . . . 0.0 109.959 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -113.76 -57.63 2.26 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.847 HG11 ' CD2' ' A' ' 78' ' ' PHE . 14.1 t -129.43 149.54 33.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.3 t -112.14 147.31 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.572 HG21 ' CB ' ' A' ' 55' ' ' PHE . 76.8 t -108.93 135.52 47.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.256 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -144.12 128.06 17.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.72 30.83 3.61 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.127 . . . . 0.0 111.008 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 49' ' ' LEU . 8.5 mt -101.29 164.93 15.04 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.474 0.75 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.504 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.4 Cg_endo -74.95 157.79 42.77 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.458 1.768 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -58.1 131.54 50.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.272 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 59.37 50.23 70.0 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.534 1.146 . . . . 0.0 111.033 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.504 HG11 ' HG2' ' A' ' 50' ' ' PRO . 92.4 t -147.76 127.61 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.444 0.732 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -95.52 175.25 6.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.724 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 31.1 t80 -87.9 14.61 8.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 111.049 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -48.17 161.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.283 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.414 ' ND1' ' HD2' ' A' ' 58' ' ' PRO . 1.7 t-80 -40.63 143.25 0.7 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.624 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.696 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -74.97 -27.57 9.96 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.496 1.787 . . . . 0.0 110.96 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -20.37 2.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.259 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 61' ' ' TYR . 48.8 m-80 -89.24 -48.72 7.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.696 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.8 m-30 -36.89 144.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.949 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 63' ' ' LEU . 6.6 m-20 -78.86 151.82 31.61 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.433 1.083 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 62' ' ' ASP . 3.7 tp -39.74 -41.31 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.097 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.2 -62.06 1.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.36 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 83.6 m -46.61 -50.01 18.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 110.375 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 46.1 mt -51.03 -57.26 9.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.472 ' HD2' HD22 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -62.94 -29.8 71.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.16 . . . . 0.0 109.269 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.414 ' O ' ' N ' ' A' ' 71' ' ' GLU . 64.6 t90 -66.28 -59.81 3.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 108.005 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.516 HD11 ' CE2' ' A' ' 61' ' ' TYR . 42.1 mt -41.62 -54.57 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 42.5 mt -59.0 -41.53 87.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 68' ' ' TRP . 0.1 OUTLIER -69.62 -11.35 60.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 110.261 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -143.84 46.32 1.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 9.7 pttp -86.4 -40.38 15.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.47 -27.65 4.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -83.93 -26.62 40.66 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.503 1.127 . . . . 0.0 110.962 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.479 HD12 HG23 ' A' ' 69' ' ' ILE . 57.9 mt -72.37 124.47 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 0.779 . . . . 0.0 109.308 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.7 m -140.5 138.27 34.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.959 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.847 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -94.4 102.44 14.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.425 ' N ' HD13 ' A' ' 79' ' ' ILE . 5.9 mm -80.27 87.69 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.788 ' HB ' ' HB1' ' A' ' 23' ' ' ALA . 0.3 OUTLIER -60.95 129.89 24.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.272 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -111.25 -43.22 3.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.233 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.76 156.41 5.01 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -174.93 2.12 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.469 1.773 . . . . 0.0 110.984 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.5 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 18.8 m-85 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.439 ' CD2' ' HG3' ' A' ' 67' ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 8' ' ' LEU . 5.1 mtm180 -38.67 -43.78 0.93 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -72.84 -52.46 14.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -43.33 -48.6 6.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.501 HG11 ' HB3' ' A' ' 58' ' ' PRO . 63.7 t -58.28 -40.85 79.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.475 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 2.6 mt-10 -69.17 -40.76 77.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.327 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -61.92 -29.96 70.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.517 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 44.2 t80 -75.39 -66.04 0.82 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.433 ' CD1' ' HE1' ' A' ' 55' ' ' PHE . 6.1 m-85 -36.03 -39.73 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 98.5 m -61.45 -57.95 10.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 108.315 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.437 ' N ' ' O ' ' A' ' 15' ' ' TYR . 1.9 t80 -47.76 -36.06 10.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 0.0 111.064 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.5 m -64.81 -64.57 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 108.263 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.581 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 4.9 t80 -46.99 -40.96 15.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.967 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.48 -40.42 94.33 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 110.989 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.8 mtpt -66.44 -25.08 66.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 0.776 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.58 -43.29 13.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.578 1.174 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.572 HD11 ' CD2' ' A' ' 20' ' ' TYR . 4.5 mt -62.27 -27.51 69.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.43 34.75 6.51 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.594 ' OG1' HG22 ' A' ' 28' ' ' VAL . 9.4 t -112.35 158.86 19.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 0.762 . . . . 0.0 110.397 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 28.8 p -100.53 17.53 21.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.372 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.594 HG22 ' OG1' ' A' ' 26' ' ' THR . 27.5 m -128.57 -173.48 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 6.1 mtm -99.12 130.93 45.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.514 HG21 HD13 ' A' ' 24' ' ' LEU . 25.9 t -109.42 133.11 20.93 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 18.4 Cg_endo -75.02 100.0 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.499 1.789 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.743 HG11 ' CZ ' ' A' ' 55' ' ' PHE . 55.7 t -44.41 116.0 2.45 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.581 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -74.93 80.94 2.3 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.511 1.795 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.501 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 96.8 m-85 -59.51 -62.37 1.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 34' ' ' TYR . 4.6 tt0 -37.32 -35.38 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.0 mttm -76.24 -69.43 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 18.9 mmm -47.05 -45.22 21.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 38' ' ' LEU . 14.0 mt -53.65 -40.0 65.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -73.71 -51.68 15.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -131.69 118.38 19.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -92.38 17.89 9.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.7 m -95.41 26.91 3.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.011 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -113.54 -63.7 1.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.912 HG11 ' CD2' ' A' ' 78' ' ' PHE . 7.2 t -123.73 143.46 36.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.8 t -106.66 145.89 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.564 HG21 ' CB ' ' A' ' 55' ' ' PHE . 70.9 t -107.85 135.18 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -143.18 127.55 17.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 110.337 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.4 27.97 4.24 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.11 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.417 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 8.4 mt -99.62 165.3 14.95 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.62 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.3 Cg_endo -75.02 175.09 11.7 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.519 1.8 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 1.028 ' O ' HG23 ' A' ' 53' ' ' VAL . 7.4 tt0 -66.51 146.06 54.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 110.31 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 40.28 45.98 3.34 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.462 1.101 . . . . 0.0 111.02 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 1.028 HG23 ' O ' ' A' ' 51' ' ' GLU . 88.2 t -136.47 132.55 48.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.765 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -102.33 177.68 4.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.743 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 37.7 t80 -89.58 14.46 11.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -48.7 162.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.447 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.7 t-80 -42.44 145.02 0.87 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.584 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.699 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -75.05 -29.12 8.49 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.482 1.78 . . . . 0.0 110.99 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.93 -20.92 1.49 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -88.6 -49.32 6.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.699 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.6 m-30 -37.66 140.77 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.422 ' C ' ' N ' ' A' ' 64' ' ' ALA . 2.1 m-20 -73.47 146.36 45.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.1 tp -39.91 -31.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.422 ' N ' ' C ' ' A' ' 62' ' ' ASP . . . -71.18 -56.57 5.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 51.6 m -52.88 -50.6 63.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.405 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 40.7 mt -47.46 -51.27 20.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.439 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -66.18 -34.12 77.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 57.5 t90 -62.58 -57.3 11.58 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.52 ' CD1' ' CE2' ' A' ' 61' ' ' TYR . 44.1 mt -44.61 -53.84 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.419 ' CD1' HD23 ' A' ' 8' ' ' LEU . 52.9 mt -59.66 -40.57 88.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.36 -12.25 61.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.339 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -142.68 45.39 1.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.517 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 11.5 pttp -84.18 -42.94 15.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.98 -25.34 4.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.02 -26.85 39.41 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.457 ' CD1' HG23 ' A' ' 69' ' ' ILE . 71.2 mt -72.89 124.33 29.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.5 p -138.56 139.52 38.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.002 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.912 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -95.36 102.42 14.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 111.007 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.417 ' N ' HD13 ' A' ' 79' ' ' ILE . 6.0 mm -80.94 88.87 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.533 ' CD1' HG22 ' A' ' 44' ' ' VAL . 0.4 OUTLIER -60.35 137.45 22.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -121.04 -49.67 2.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.17 155.81 15.98 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 178.61 7.03 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.494 1.786 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.472 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 53.5 m-85 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.455 ' CD2' ' HG3' ' A' ' 67' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.472 ' CD ' ' HA ' ' A' ' 59' ' ' GLU . 9.5 ttm180 -38.6 -43.59 0.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.293 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 11' ' ' ALA . 0.5 OUTLIER -69.53 -55.1 11.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 10' ' ' LYS . . . -39.76 -49.27 2.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.562 HG11 ' HB3' ' A' ' 58' ' ' PRO . 21.2 t -49.57 -56.61 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.247 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.466 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 3.3 mt-10 -53.39 -34.16 56.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.237 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.09 -16.32 61.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 1.002 ' OH ' HG21 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -91.44 -54.46 3.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.118 . . . . 0.0 111.015 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.599 ' N ' ' CG ' ' A' ' 15' ' ' TYR . 3.6 m-85 -45.85 -24.68 0.42 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 95.0 m -74.5 -57.64 3.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 108.304 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -40.11 -36.83 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.75 -67.0 0.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 108.322 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.663 ' O ' HD12 ' A' ' 24' ' ' LEU . 3.1 t80 -47.31 -36.32 9.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.524 ' O ' HG22 ' A' ' 26' ' ' THR . . . -71.88 -37.76 60.7 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -71.83 -26.19 62.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 0.752 . . . . 0.0 109.256 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.6 -46.77 12.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.787 HD13 HG21 ' A' ' 30' ' ' VAL . 4.1 mt -57.65 -20.12 31.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.71 29.05 40.39 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.443 1.089 . . . . 0.0 110.969 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.524 HG22 ' O ' ' A' ' 21' ' ' GLY . 2.4 t -100.12 177.78 4.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.777 . . . . 0.0 110.449 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.45 ' N ' ' OG1' ' A' ' 26' ' ' THR . 24.5 p -116.79 21.64 13.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.404 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.417 HG22 ' OG1' ' A' ' 26' ' ' THR . 12.3 m -137.88 -173.43 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.351 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 5.6 mtm -100.43 130.86 46.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 111.012 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.787 HG21 HD13 ' A' ' 24' ' ' LEU . 96.2 t -109.67 137.47 20.39 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.48 ' HD2' HG13 ' A' ' 30' ' ' VAL . 18.2 Cg_endo -74.96 104.6 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.776 HG11 ' CZ ' ' A' ' 55' ' ' PHE . 55.1 t -48.03 118.14 6.14 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.59 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -74.99 84.51 1.65 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.45 1.763 . . . . 0.0 111.035 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.415 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 96.2 m-85 -61.19 -62.8 1.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 111.001 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.54 -35.28 0.18 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.562 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 14.4 mttt -75.18 -67.68 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.47 ' HE3' ' HB ' ' A' ' 44' ' ' VAL . 92.6 mtp -48.31 -36.13 13.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.929 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.8 mt -70.53 -39.34 74.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -72.77 -51.64 18.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 110.305 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.68 113.88 17.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.355 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -90.1 17.29 7.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 110.269 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.6 m -104.88 23.81 12.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -109.02 -67.41 0.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.881 HG11 ' CD2' ' A' ' 78' ' ' PHE . 4.6 t -119.08 144.27 27.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.2 t -111.49 143.16 21.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.547 HG21 ' CB ' ' A' ' 55' ' ' PHE . 72.5 t -104.16 137.3 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -143.6 125.56 15.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.11 31.87 2.75 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.455 1.097 . . . . 0.0 111.024 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.42 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 9.6 mt -102.34 165.27 14.12 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 109.286 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.655 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.3 Cg_endo -75.05 170.05 21.26 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.539 1.81 . . . . 0.0 110.992 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.966 ' O ' HG23 ' A' ' 53' ' ' VAL . 2.8 tt0 -63.08 143.36 57.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.337 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 43.8 44.81 7.17 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.966 HG23 ' O ' ' A' ' 51' ' ' GLU . 80.0 t -136.71 133.51 48.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 0.755 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -103.42 -179.85 4.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.776 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 41.9 t80 -92.09 14.9 14.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.427 ' HG3' ' CE1' ' A' ' 61' ' ' TYR . 8.8 pt20 -48.52 174.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.456 ' ND1' ' OE1' ' A' ' 59' ' ' GLU . 1.7 t-80 -52.51 144.73 22.91 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.593 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.701 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -75.05 -26.86 10.44 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.523 1.801 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.472 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 9.0 pt-20 -53.28 -18.91 2.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.268 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -90.55 -50.33 6.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.107 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.701 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 21.7 m-30 -38.42 145.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 63' ' ' LEU . 3.2 m-20 -78.75 146.53 33.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 62' ' ' ASP . 10.3 tp -39.56 -34.24 0.22 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.24 -57.81 5.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 48.3 m -51.29 -51.53 53.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.395 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 33.8 mt -46.72 -51.68 15.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.455 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -65.96 -33.39 75.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.419 ' O ' ' N ' ' A' ' 72' ' ' ASN . 60.9 t90 -63.36 -59.52 4.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 107.976 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.476 ' O ' ' N ' ' A' ' 73' ' ' LYS . 37.1 mt -45.88 -51.11 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.414 HD12 HD23 ' A' ' 8' ' ' LEU . 86.5 mt -59.18 -42.01 89.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.34 -13.89 61.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.297 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 68' ' ' TRP . 5.2 m-80 -134.76 41.07 2.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 69' ' ' ILE . 8.1 pttp -86.23 -29.67 22.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.98 -30.94 70.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -83.33 -21.7 58.1 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 1.002 HG21 ' OH ' ' A' ' 15' ' ' TYR . 65.3 mt -72.91 128.38 35.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.4 p -143.49 140.97 30.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.043 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.881 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -95.74 102.13 13.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.434 HD13 ' N ' ' A' ' 79' ' ' ILE . 5.8 mm -81.55 93.36 2.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.719 ' CD1' HG22 ' A' ' 44' ' ' VAL . 1.0 OUTLIER -66.52 147.17 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -127.57 -50.61 1.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.1 156.08 25.54 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.272 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 175.55 11.1 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.494 1.786 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.562 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 82.3 m-85 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.958 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.482 HD23 ' CD1' ' A' ' 70' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 8' ' ' LEU . 3.3 mtm180 -37.45 -50.72 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -65.46 -52.01 56.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -40.18 -48.05 2.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.544 HG12 ' CE2' ' A' ' 16' ' ' PHE . 74.4 t -60.69 -48.45 88.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.47 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 10.0 mm-40 -61.65 -26.07 67.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.68 -26.38 50.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 22.8 t80 -81.79 -60.51 2.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.544 ' CE2' HG12 ' A' ' 12' ' ' VAL . 4.7 m-85 -37.62 -36.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 111.019 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 99.6 m -66.83 -66.09 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 108.263 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -39.14 -35.35 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.2 m -67.16 -60.45 2.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 108.314 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.625 ' O ' HD12 ' A' ' 24' ' ' LEU . 3.8 t80 -49.49 -37.46 26.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 111.028 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.06 -39.16 84.47 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.89 -23.0 65.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 0.803 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.99 -49.87 7.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.625 HD12 ' O ' ' A' ' 20' ' ' TYR . 2.3 mt -57.66 -31.38 66.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.08 -6.95 43.63 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.665 HG21 ' CG2' ' A' ' 30' ' ' VAL . 1.3 t -66.0 159.93 24.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 110.4 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.51 ' O ' HG22 ' A' ' 27' ' ' THR . 18.7 m -103.06 10.67 37.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.383 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.5 m -126.83 178.83 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 37.7 mtp -82.2 140.02 33.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 111.043 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.665 ' CG2' HG21 ' A' ' 26' ' ' THR . 20.6 t -118.16 130.93 24.43 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 101.17 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.489 1.784 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.796 HG11 ' CZ ' ' A' ' 55' ' ' PHE . 52.7 t -44.77 118.51 3.48 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.57 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -75.0 71.57 4.95 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.499 1.789 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.504 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 96.6 m-85 -48.9 -64.62 0.75 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 34' ' ' TYR . 2.7 tt0 -38.05 -37.81 0.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.561 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 45.0 mttt -72.95 -69.29 0.42 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.571 ' HE3' ' CE2' ' A' ' 78' ' ' PHE . 83.2 mtp -45.64 -37.74 5.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 22.6 mt -65.47 -50.65 64.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.7 mtt-85 -60.87 -51.05 70.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -129.29 126.01 38.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -101.01 18.59 19.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.432 ' O ' ' NH1' ' A' ' 82' ' ' ARG . 62.9 m -101.25 17.97 21.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.029 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -103.89 -60.7 1.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.807 HG11 ' CD2' ' A' ' 78' ' ' PHE . 12.7 t -130.82 147.96 33.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.9 t -112.41 151.45 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.259 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.549 HG21 ' CB ' ' A' ' 55' ' ' PHE . 78.2 t -110.18 135.67 48.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -141.95 128.29 19.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.289 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.04 30.28 3.48 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.546 1.154 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 49' ' ' LEU . 7.7 mt -101.64 164.9 14.99 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.503 0.767 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.456 ' HG2' HG21 ' A' ' 53' ' ' VAL . 18.4 Cg_endo -74.99 160.45 40.17 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.537 1.809 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -60.68 131.43 50.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 60.67 50.28 69.28 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.456 HG21 ' HG2' ' A' ' 50' ' ' PRO . 88.3 t -148.43 136.4 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.474 0.749 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -104.98 174.53 5.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.796 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 43.4 t80 -85.92 15.38 4.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -51.86 163.86 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.447 ' ND1' ' OE2' ' A' ' 59' ' ' GLU . 1.7 t-80 -42.08 143.55 1.0 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.636 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.689 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.1 Cg_endo -75.04 -28.33 9.19 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.532 1.806 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.447 ' OE2' ' ND1' ' A' ' 57' ' ' HIS . 10.9 pt-20 -51.1 -20.39 1.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 61' ' ' TYR . 55.4 m-80 -89.91 -47.59 7.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.689 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.1 m-30 -37.33 146.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.432 ' C ' ' N ' ' A' ' 64' ' ' ALA . 1.5 m-20 -78.79 148.63 32.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.456 HD13 ' O ' ' A' ' 63' ' ' LEU . 2.1 tm? -40.64 -29.52 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.432 ' N ' ' C ' ' A' ' 62' ' ' ASP . . . -73.89 -62.35 1.53 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 53.0 m -46.8 -46.69 20.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.386 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 42.3 mt -51.25 -58.86 5.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.419 ' HD2' HD22 ' A' ' 8' ' ' LEU . 1.3 mptp? -61.77 -32.93 73.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.423 ' O ' ' N ' ' A' ' 72' ' ' ASN . 62.0 t90 -63.19 -59.19 5.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 107.982 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.564 ' CD1' ' CE2' ' A' ' 61' ' ' TYR . 39.7 mt -43.26 -53.44 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.482 ' CD1' HD23 ' A' ' 8' ' ' LEU . 55.1 mt -59.87 -40.43 88.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.67 -12.49 61.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.331 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 68' ' ' TRP . 5.3 m-80 -140.88 44.91 1.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 11.0 pttp -83.99 -42.49 16.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.347 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.44 -25.67 6.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.18 -25.57 43.74 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.126 . . . . 0.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.457 ' CD1' HG23 ' A' ' 69' ' ' ILE . 66.4 mt -72.94 124.82 30.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 0.782 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.1 m -140.66 142.48 34.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.018 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.807 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -98.3 110.69 23.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 111.043 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.439 ' N ' HD13 ' A' ' 79' ' ' ILE . 5.6 mm -85.06 92.15 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.757 HD13 HG22 ' A' ' 44' ' ' VAL . 1.0 OUTLIER -65.9 140.3 19.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -124.8 -50.79 1.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.432 ' NH1' ' O ' ' A' ' 42' ' ' SER . 0.0 OUTLIER -163.49 156.36 15.92 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.264 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 174.7 12.33 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.444 1.76 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.561 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 53.7 m-85 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.474 ' CD2' ' HG3' ' A' ' 67' ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -38.4 -49.77 1.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 110.275 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 13' ' ' GLU . 40.6 tptt -69.6 -48.61 59.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -43.82 -46.06 7.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.474 HG11 ' HB3' ' A' ' 58' ' ' PRO . 51.3 t -63.13 -40.31 88.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.471 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 2.3 mt-10 -69.79 -31.76 69.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 10' ' ' LYS . 12.3 t0 -69.16 -23.84 63.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 44.0 t80 -83.26 -64.85 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.43 ' CD1' ' HE1' ' A' ' 55' ' ' PHE . 6.9 m-85 -36.46 -45.21 0.48 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 75.7 m -56.28 -62.35 1.77 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.096 . . . . 0.0 108.258 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -39.77 -48.23 2.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 22' ' ' LYS . 6.9 m -53.91 -69.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 108.267 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.592 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 5.0 t80 -40.41 -37.64 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.978 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.477 ' O ' HG22 ' A' ' 26' ' ' THR . . . -70.72 -43.07 60.65 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -66.03 -27.19 67.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 0.767 . . . . 0.0 109.267 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.36 -46.08 14.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.549 HD13 HG21 ' A' ' 30' ' ' VAL . 6.0 mt -57.81 -27.73 63.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.95 29.74 8.88 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.437 1.085 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.489 ' OG1' HG22 ' A' ' 28' ' ' VAL . 6.8 t -107.44 172.49 6.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 0.796 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 38.2 p -112.78 18.15 18.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 110.422 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.489 HG22 ' OG1' ' A' ' 26' ' ' THR . 17.4 m -129.93 -175.34 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 80.2 mtp -96.64 130.49 43.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.549 HG21 HD13 ' A' ' 24' ' ' LEU . 23.9 t -110.16 131.31 22.07 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 18.3 Cg_endo -75.03 105.94 2.18 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.516 1.798 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.68 HG11 ' CZ ' ' A' ' 55' ' ' PHE . 66.8 t -47.83 118.19 5.97 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 109.318 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.592 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -75.01 74.62 3.95 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.58 1.831 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.531 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 97.6 m-85 -53.97 -63.07 1.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -37.67 -31.58 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 110.308 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 34' ' ' TYR . 15.4 mttt -80.67 -68.87 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 15.9 mmm -48.66 -44.76 37.92 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 0.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 38' ' ' LEU . 15.1 mt -54.15 -36.7 63.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.4 mtt85 -77.15 -46.9 21.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.272 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -140.27 118.08 11.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -89.84 17.52 6.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 m -91.91 31.1 1.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 110.028 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -120.19 -62.49 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.907 HG11 ' CD2' ' A' ' 78' ' ' PHE . 12.9 t -124.72 143.36 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.6 t -106.62 151.18 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.58 HG21 ' CB ' ' A' ' 55' ' ' PHE . 72.7 t -112.36 137.21 46.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.258 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -145.51 127.24 15.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.128 . . . . 0.0 110.291 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.78 30.73 3.38 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.562 1.164 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.417 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 9.2 mt -101.82 165.09 14.59 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.469 0.747 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.516 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.3 Cg_endo -75.03 154.09 42.1 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.561 1.821 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.73 132.14 45.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 59.31 50.25 69.79 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.464 1.103 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.516 HG11 ' HG2' ' A' ' 50' ' ' PRO . 94.4 t -148.37 127.34 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 0.786 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -95.13 176.25 6.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.254 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.68 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 35.0 t80 -88.86 14.52 10.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 111.036 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -49.25 161.82 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.424 ' ND1' ' HD2' ' A' ' 58' ' ' PRO . 1.7 t-80 -40.71 144.05 0.64 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 109.585 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.698 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -75.05 -28.34 9.17 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.532 1.806 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.83 -21.09 1.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 -88.32 -47.61 8.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.698 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.7 m-30 -39.31 141.68 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.446 ' C ' ' N ' ' A' ' 64' ' ' ALA . 4.3 m-20 -74.05 145.69 44.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.8 tp -39.41 -30.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.446 ' N ' ' C ' ' A' ' 62' ' ' ASP . . . -71.09 -60.06 2.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 60.1 m -49.47 -51.03 38.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.399 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 39.4 mt -46.42 -52.71 12.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.282 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.474 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -66.56 -31.88 72.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 58.0 t90 -63.91 -58.58 6.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 108.005 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 73' ' ' LYS . 30.5 mt -44.12 -52.91 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 31.4 mt -60.46 -38.28 83.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.94 -10.01 59.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -147.27 46.33 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 11.1 pttp -84.56 -40.52 17.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.02 -27.7 5.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -82.87 -25.75 48.24 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.462 HD12 HG23 ' A' ' 69' ' ' ILE . 67.3 mt -72.86 123.69 28.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.773 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.9 p -138.03 142.3 40.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.968 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.907 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -98.55 104.18 16.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.165 . . . . 0.0 110.998 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.464 HD13 ' N ' ' A' ' 79' ' ' ILE . 5.2 mm -80.66 88.34 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.536 ' CD1' HG22 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -63.35 122.93 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 22.3 m-20 -105.44 -42.62 5.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.29 156.19 4.44 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -179.75 5.29 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.479 1.778 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.56 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 57.1 m-85 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 110.958 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.91 88.61 2.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 0.766 . . . . 0.0 110.009 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -107.2 164.48 12.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 110.009 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.74 101.15 0.15 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.493 1.121 . . . . 0.0 111.021 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.22 -57.23 0.76 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 0.763 . . . . 0.0 110.001 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.4 p -78.51 157.36 28.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.959 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.42 158.3 27.99 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.461 ' CD2' ' HG3' ' A' ' 67' ' ' LYS . 0.5 OUTLIER -96.03 -65.3 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 0.744 . . . . 0.0 109.324 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 8' ' ' LEU . 12.2 ttp180 -37.87 -54.24 1.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -58.58 -51.42 69.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.355 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -44.9 -49.58 10.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.512 HG12 ' CE2' ' A' ' 16' ' ' PHE . 63.0 t -56.69 -40.74 71.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 0.0 109.256 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.478 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 3.3 mt-10 -70.17 -50.31 41.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -54.24 -28.34 40.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 24.7 t80 -78.42 -63.64 1.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.512 ' CE2' HG12 ' A' ' 12' ' ' VAL . 4.0 m-85 -36.26 -38.33 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 70.8 m -64.69 -61.93 1.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 108.312 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -40.26 -33.51 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.979 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.8 m -67.42 -63.35 1.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 108.324 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.586 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 4.7 t80 -48.37 -40.71 26.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.529 ' O ' HG22 ' A' ' 26' ' ' THR . . . -67.51 -33.84 82.63 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.485 1.115 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -75.86 -26.41 57.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.781 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.81 -44.14 17.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.781 HD13 HG21 ' A' ' 30' ' ' VAL . 4.0 mt -57.86 -33.58 68.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.26 21.42 10.81 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.529 HG22 ' O ' ' A' ' 21' ' ' GLY . 10.0 t -98.83 176.4 5.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 0.0 110.375 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 m -116.16 19.91 14.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.395 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.0 m -132.42 -172.52 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 67.9 mtp -100.6 135.72 41.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.781 HG21 HD13 ' A' ' 24' ' ' LEU . 87.1 t -113.55 141.03 25.26 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.593 ' HD2' HG13 ' A' ' 30' ' ' VAL . 18.1 Cg_endo -75.02 95.31 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.505 1.792 . . . . 0.0 110.982 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.653 HG11 ' HZ ' ' A' ' 55' ' ' PHE . 44.1 t -40.46 114.27 1.05 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.586 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -75.03 80.65 2.39 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.458 1.768 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.496 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 94.6 m-85 -57.94 -64.51 0.88 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.148 . . . . 0.0 110.994 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -38.22 -38.33 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 110.332 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.559 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 61.4 mttt -69.02 -67.11 0.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.577 ' CE ' ' CZ ' ' A' ' 78' ' ' PHE . 81.0 mtp -50.91 -47.09 60.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 26.4 mt -55.36 -53.13 60.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -57.64 -53.55 56.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.277 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -134.88 127.28 30.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -95.15 17.84 13.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.22 32.27 1.76 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.961 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -129.48 -53.99 1.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.804 HG11 ' CD2' ' A' ' 78' ' ' PHE . 6.4 t -132.72 140.54 47.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.2 t -110.0 150.92 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.25 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.518 HG21 ' CB ' ' A' ' 55' ' ' PHE . 78.5 t -112.68 135.39 52.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -144.29 126.58 15.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.19 33.97 2.24 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.553 1.158 . . . . 0.0 111.022 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.415 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 8.4 mt -105.34 164.22 15.52 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.469 0.747 . . . . 0.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.548 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.2 Cg_endo -75.02 154.55 42.46 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.498 1.788 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -54.08 131.89 41.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 58.53 50.46 66.74 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.449 1.093 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.548 HG11 ' HG2' ' A' ' 50' ' ' PRO . 89.7 t -148.64 125.33 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 0.777 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -93.43 175.04 6.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.26 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.653 ' HZ ' HG11 ' A' ' 32' ' ' VAL . 37.7 t80 -86.01 14.1 6.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -47.68 162.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.27 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.434 ' CE1' ' OE2' ' A' ' 13' ' ' GLU . 1.7 t-80 -42.0 144.15 0.9 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.61 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.699 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -75.04 -31.14 6.39 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.522 1.801 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.7 -23.93 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.345 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -85.15 -48.7 8.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.699 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.3 m-30 -39.19 135.2 1.01 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.434 ' C ' ' N ' ' A' ' 64' ' ' ALA . 1.6 m-20 -70.0 146.89 50.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.6 tp -39.97 -30.36 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.261 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.434 ' N ' ' C ' ' A' ' 62' ' ' ASP . . . -72.52 -57.0 4.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 78.1 m -53.13 -50.61 64.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 110.381 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 46.8 mt -47.26 -49.16 24.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.461 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -68.47 -30.9 69.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 51.9 t90 -64.43 -56.38 14.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 107.974 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.733 HG23 ' CD1' ' A' ' 76' ' ' ILE . 43.0 mt -48.77 -45.74 15.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.447 ' CD1' HD23 ' A' ' 8' ' ' LEU . 61.5 mt -66.14 -39.42 89.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.88 -10.62 60.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 110.271 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -141.89 40.4 1.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 11.0 pttp -81.04 -35.27 32.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.581 1.175 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.75 -19.1 9.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -92.84 -24.21 23.6 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.538 1.149 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.733 ' CD1' HG23 ' A' ' 69' ' ' ILE . 41.9 mt -72.3 121.5 22.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 m -141.32 135.3 30.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 110.04 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.804 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -90.05 105.05 17.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.451 HD13 ' N ' ' A' ' 79' ' ' ILE . 5.1 mm -82.57 92.97 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.721 ' CD1' HG22 ' A' ' 44' ' ' VAL . 1.0 OUTLIER -69.82 142.78 15.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -123.99 -44.0 2.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.61 157.24 10.81 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 110.266 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 177.98 7.87 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.499 1.789 . . . . 0.0 110.95 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 44.9 m-85 -95.47 165.35 12.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -121.89 155.15 36.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 131.36 168.12 12.09 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.538 1.148 . . . . 0.0 110.961 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 109.5 2.94 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.475 1.776 . . . . 0.0 111.039 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -172.66 124.65 0.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.32 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 40.0 m -128.91 -63.72 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.004 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.75 112.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.6 tp -74.7 157.07 35.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -93.01 89.16 1.32 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.477 1.111 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 167.13 137.61 2.26 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.75 143.56 47.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 0.0 110.031 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -154.58 148.01 17.92 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.502 1.126 . . . . 0.0 110.963 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 110.81 3.19 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.483 1.78 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.2 m -85.11 108.04 17.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.011 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 93.7 p -91.42 114.73 27.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.03 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 -179.979 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.4 p -114.88 128.13 56.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 0.759 . . . . 0.0 110.036 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.0 139.37 42.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.95 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.93 -168.88 14.58 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.53 1.143 . . . . 0.0 111.015 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.4 m -131.33 130.62 42.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.988 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.08 118.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.043 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.22 161.66 19.68 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.38 -63.84 1.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 0.748 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.8 mtm180 -41.92 -47.96 4.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.283 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -56.4 -51.77 67.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -47.69 -44.39 27.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.535 HG12 ' CE2' ' A' ' 16' ' ' PHE . 53.8 t -66.39 -41.63 89.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.463 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 3.9 mm-40 -65.95 -36.2 82.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.92 -24.34 66.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.559 ' CE2' ' HB2' ' A' ' 73' ' ' LYS . 70.8 t80 -84.26 -63.85 1.27 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.535 ' CE2' HG12 ' A' ' 12' ' ' VAL . 3.9 m-85 -36.01 -33.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.962 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 15' ' ' TYR . 76.4 m -69.64 -59.41 2.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 108.317 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.431 ' N ' ' O ' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -43.13 -35.19 1.26 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.949 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.5 m -64.63 -66.42 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 108.291 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.584 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 3.7 t80 -46.8 -35.33 6.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.37 -38.04 58.59 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.535 1.147 . . . . 0.0 111.047 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.4 mttt -70.28 -24.56 63.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.86 -45.24 12.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.639 HD13 HG21 ' A' ' 30' ' ' VAL . 4.9 mt -60.12 -26.4 66.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.565 1.166 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.21 32.35 8.95 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.547 1.154 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.54 ' OG1' HG22 ' A' ' 28' ' ' VAL . 15.1 t -110.12 153.51 24.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 110.369 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.6 m -94.82 23.23 5.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.413 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.54 HG22 ' OG1' ' A' ' 26' ' ' THR . 14.6 m -133.97 -173.79 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 76.3 mtp -99.94 131.75 45.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.975 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.639 HG21 HD13 ' A' ' 24' ' ' LEU . 53.4 t -109.48 136.05 20.27 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 18.3 Cg_endo -74.98 101.61 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.499 1.789 . . . . 0.0 110.994 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.843 HG11 ' HZ ' ' A' ' 55' ' ' PHE . 48.2 t -48.41 115.71 4.46 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.584 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.4 Cg_endo -74.96 83.09 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.504 1.792 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.421 ' O ' ' C ' ' A' ' 35' ' ' GLU . 76.9 m-85 -58.44 -66.58 0.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -36.99 -41.1 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 110.349 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.567 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 26.9 mttt -64.78 -68.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.44 ' HE3' ' HB ' ' A' ' 44' ' ' VAL . 66.2 mtp -50.16 -46.14 53.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.9 mt -55.03 -38.92 68.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.4 mtt-85 -75.05 -52.47 10.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.316 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -127.98 118.91 24.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -93.87 19.01 9.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.65 25.9 7.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.988 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -114.88 -67.18 1.01 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.869 HG11 ' CD2' ' A' ' 78' ' ' PHE . 10.8 t -121.21 144.11 31.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.7 t -108.94 151.98 11.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.537 HG21 ' CB ' ' A' ' 55' ' ' PHE . 73.5 t -111.94 137.03 46.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -144.11 128.45 17.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.74 30.8 3.37 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.471 1.107 . . . . 0.0 110.956 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 49' ' ' LEU . 7.6 mt -102.59 165.08 14.38 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 109.333 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.584 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.4 Cg_endo -75.03 176.66 9.63 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.528 1.804 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 1.021 ' O ' HG23 ' A' ' 53' ' ' VAL . 3.0 tt0 -67.34 145.63 54.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 40.24 47.74 3.57 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.547 1.154 . . . . 0.0 110.958 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 1.021 HG23 ' O ' ' A' ' 51' ' ' GLU . 85.8 t -136.73 139.72 44.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -106.85 -179.55 3.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.843 ' HZ ' HG11 ' A' ' 32' ' ' VAL . 37.3 t80 -92.59 16.17 12.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.958 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.489 ' HG3' ' CE1' ' A' ' 61' ' ' TYR . 16.4 pt20 -47.08 173.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.531 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.5 t-80 -55.12 147.4 35.07 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.578 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.707 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -75.01 -32.44 5.36 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.473 1.775 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.88 -22.32 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -87.6 -51.9 5.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.707 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 22.1 m-30 -37.52 140.73 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -77.2 153.79 33.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.1 tp -39.34 -50.96 2.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.35 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 68' ' ' TRP . . . -54.2 -59.96 3.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 66.3 m -50.48 -54.97 18.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.37 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.41 ' CD2' ' HB2' ' A' ' 61' ' ' TYR . 63.9 mt -49.43 -50.07 42.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -28.71 68.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.446 ' N ' ' O ' ' A' ' 64' ' ' ALA . 70.2 t90 -67.69 -61.19 2.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 108.024 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.755 HG23 ' CD1' ' A' ' 76' ' ' ILE . 61.8 mt -42.61 -49.0 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 87.5 mt -62.8 -42.45 99.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 68' ' ' TRP . 0.1 OUTLIER -67.17 -16.32 64.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 110.317 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -138.7 44.77 2.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.559 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . 1.8 ptmm? -79.75 -42.73 23.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.1 -23.81 3.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.303 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.5 -25.52 42.6 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.755 ' CD1' HG23 ' A' ' 69' ' ' ILE . 38.4 mt -72.48 125.02 30.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 0.764 . . . . 0.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.2 p -143.09 140.57 30.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.984 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.869 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -97.18 110.19 22.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 110.989 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.443 ' N ' HD13 ' A' ' 79' ' ' ILE . 5.4 mm -85.33 91.03 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.54 ' CD1' HG22 ' A' ' 44' ' ' VAL . 0.4 OUTLIER -66.98 140.41 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -125.62 -47.03 1.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.241 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.9 ptt180 -166.4 156.18 10.56 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.326 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -177.33 3.39 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.517 1.798 . . . . 0.0 111.009 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.567 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 42.8 m-85 -97.98 165.93 11.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.85 68.74 10.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 54.12 171.18 0.05 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -50.06 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.537 1.809 . . . . 0.0 111.044 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.45 153.69 47.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.246 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.06 96.68 5.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.978 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -179.03 97.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.3 mp -151.42 146.99 26.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -79.12 -74.15 1.08 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.467 1.105 . . . . 0.0 110.981 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 146.25 -93.7 0.16 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.34 115.01 5.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 0.775 . . . . 0.0 110.007 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -147.08 73.95 0.3 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.536 1.147 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 144.1 29.75 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.538 1.809 . . . . 0.0 111.017 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 59.4 p -119.58 106.56 12.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.012 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.33 -58.47 2.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.004 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.46 1.1 . . . . 0.0 111.032 -179.979 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.75 125.64 45.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 0.78 . . . . 0.0 110.021 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.7 p -136.56 133.26 36.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.99 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.41 177.5 20.33 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.122 . . . . 0.0 110.951 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.8 t -168.02 -59.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 0.782 . . . . 0.0 110.01 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.2 p -53.3 165.19 0.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.025 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.18 132.09 6.75 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.491 1.12 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.407 HD23 ' CD1' ' A' ' 70' ' ' LEU . 0.4 OUTLIER -70.04 -50.8 37.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.761 . . . . 0.0 109.283 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.483 ' CD ' ' HA ' ' A' ' 59' ' ' GLU . 2.4 mtm105 -44.99 -41.36 7.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 13' ' ' GLU . 4.0 mmmt -74.88 -51.64 13.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -40.37 -40.77 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.528 HG12 ' CE2' ' A' ' 16' ' ' PHE . 69.1 t -68.24 -50.03 61.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.237 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.467 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 1.8 mm-40 -61.19 -28.23 68.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 110.29 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -71.77 -30.13 65.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.52 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 60.2 t80 -79.22 -62.19 1.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.974 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.528 ' CE2' HG12 ' A' ' 12' ' ' VAL . 5.1 m-85 -36.14 -41.93 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.105 . . . . 0.0 110.982 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 75.8 m -61.47 -58.26 8.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 108.339 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.412 ' N ' ' O ' ' A' ' 15' ' ' TYR . 5.9 t80 -45.75 -41.39 10.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 13.2 m -59.2 -64.21 1.02 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 108.271 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.565 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 4.0 t80 -50.19 -40.72 47.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.53 ' O ' HG22 ' A' ' 26' ' ' THR . . . -67.63 -36.44 87.9 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.535 1.147 . . . . 0.0 110.955 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -72.89 -25.97 61.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 0.751 . . . . 0.0 109.268 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.59 -45.45 14.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.527 HD11 ' CD2' ' A' ' 20' ' ' TYR . 4.6 mt -58.7 -25.36 62.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.84 29.19 12.13 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.53 HG22 ' O ' ' A' ' 21' ' ' GLY . 14.8 t -105.87 152.93 22.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 0.779 . . . . 0.0 110.374 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.1 m -94.26 23.77 4.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 110.381 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.474 HG22 ' OG1' ' A' ' 26' ' ' THR . 18.5 m -138.74 -177.02 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 65.5 mtp -94.25 135.52 35.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.082 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.527 HG21 HD13 ' A' ' 24' ' ' LEU . 48.2 t -113.72 137.99 22.48 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.403 ' HD2' HG13 ' A' ' 30' ' ' VAL . 18.4 Cg_endo -74.97 105.7 2.13 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.496 1.788 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.777 HG11 ' HZ ' ' A' ' 55' ' ' PHE . 52.6 t -52.56 116.18 8.35 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.565 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -75.03 81.24 2.26 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.443 1.76 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 35' ' ' GLU . 73.6 m-85 -59.03 -64.57 0.89 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.15 . . . . 0.0 111.027 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 34' ' ' TYR . 3.6 tt0 -38.28 -37.32 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.568 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 10.3 mtpt -68.82 -69.17 0.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.449 ' CE ' ' CZ ' ' A' ' 78' ' ' PHE . 66.4 mtp -49.95 -37.64 32.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.1 mt -63.66 -49.02 74.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.0 mtt180 -64.33 -49.81 70.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.357 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -132.43 122.7 25.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -95.4 19.52 10.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.357 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.4 32.4 3.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 110.027 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -120.9 -57.54 1.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.728 HG22 HD13 ' A' ' 80' ' ' ILE . 14.2 t -132.93 149.17 31.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.251 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.4 t -113.0 147.23 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.561 HG21 ' CB ' ' A' ' 55' ' ' PHE . 61.6 t -106.54 137.12 38.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.35 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -143.63 129.05 18.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.28 30.9 3.7 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.507 1.129 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.421 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 7.6 mt -103.24 165.26 13.9 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.772 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.683 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.4 Cg_endo -75.0 172.45 16.34 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.512 1.796 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 1.023 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -62.96 145.43 55.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 39.1 47.45 2.57 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 1.023 HG23 ' O ' ' A' ' 51' ' ' GLU . 95.5 t -136.78 129.22 44.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.548 0.793 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -98.38 176.96 5.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.777 ' HZ ' HG11 ' A' ' 32' ' ' VAL . 42.8 t80 -89.41 14.5 11.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.951 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' HIS . 14.6 pt20 -49.74 162.16 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 110.305 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 56' ' ' GLN . 1.7 t-80 -40.11 142.87 0.66 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.596 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.697 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -75.02 -29.05 8.59 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.501 1.79 . . . . 0.0 110.972 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.483 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -49.02 -22.19 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.332 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 61' ' ' TYR . 54.4 m-80 -86.99 -49.39 7.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.697 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.5 m-30 -37.33 148.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 63' ' ' LEU . 0.8 OUTLIER -83.69 149.36 26.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.833 HD12 ' HE2' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -39.95 -41.29 1.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.35 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.19 -53.19 53.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 62' ' ' ASP . 80.8 m -55.19 -50.35 69.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.418 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 57.7 mt -52.18 -50.93 60.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.833 ' HE2' HD12 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -64.26 -30.75 71.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.574 1.171 . . . . 0.0 109.311 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.448 ' O ' ' N ' ' A' ' 71' ' ' GLU . 73.7 t90 -66.35 -62.95 1.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 108.001 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.782 HG23 ' CD1' ' A' ' 76' ' ' ILE . 46.2 mt -41.57 -49.16 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.407 ' CD1' HD23 ' A' ' 8' ' ' LEU . 87.7 mt -62.51 -42.57 99.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 68' ' ' TRP . 0.7 OUTLIER -68.69 -15.94 63.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 68' ' ' TRP . 4.3 m-80 -138.0 46.67 2.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 0.8 OUTLIER -82.03 -42.19 19.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.83 -23.84 3.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.82 -25.91 39.89 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.782 ' CD1' HG23 ' A' ' 69' ' ' ILE . 38.0 mt -72.19 125.16 30.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 0.751 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 m -143.6 137.02 28.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.971 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.59 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -92.73 106.55 18.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 111.013 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.408 ' N ' HD13 ' A' ' 79' ' ' ILE . 6.2 mm -85.05 88.93 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.728 HD13 HG22 ' A' ' 44' ' ' VAL . 2.9 mm -58.53 152.66 3.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -136.14 -47.31 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -166.48 155.96 10.3 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 174.55 12.6 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.485 1.781 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 59.2 m-85 -93.34 166.29 12.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 110.978 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.79 164.58 24.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 102.82 172.32 26.58 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -53.39 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.492 1.785 . . . . 0.0 111.02 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 56.13 89.65 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 110.335 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.29 85.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.002 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 19.5 mp0 -90.59 149.3 22.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.3 tp -139.0 79.72 1.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 111.24 -145.68 17.64 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 146.29 123.69 1.53 Allowed Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.6 t -165.34 138.98 4.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 0.778 . . . . 0.0 110.017 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 174.89 108.71 0.22 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 150.15 37.61 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.452 1.764 . . . . 0.0 110.945 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 37.0 t -174.6 147.38 1.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.967 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.3 m -166.89 106.86 0.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.994 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.467 1.105 . . . . 0.0 110.993 -179.971 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.9 t 40.11 82.45 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.543 0.79 . . . . 0.0 110.031 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m 58.09 167.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.975 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.19 -165.16 11.85 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 m 64.78 164.53 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 0.761 . . . . 0.0 110.034 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -151.21 157.3 42.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 110.018 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.42 ' O ' ' HB2' ' A' ' 11' ' ' ALA . . . -153.21 -163.58 11.86 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.532 1.145 . . . . 0.0 110.959 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.462 HD23 HD12 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -86.46 -63.29 1.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 0.788 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.48 ' CZ ' ' HB2' ' A' ' 9' ' ' ARG . 1.2 ttm105 -40.81 -39.12 1.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -76.35 -51.43 11.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 7' ' ' GLY . . . -42.84 -52.24 5.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.498 HG12 ' CE2' ' A' ' 16' ' ' PHE . 72.7 t -53.76 -40.42 43.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.46 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 1.8 mm-40 -71.78 -35.27 69.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.156 . . . . 0.0 110.337 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.33 -16.04 63.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 67.0 t80 -92.31 -63.91 1.18 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 111.043 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.498 ' CE2' HG12 ' A' ' 12' ' ' VAL . 5.6 m-85 -35.86 -34.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.433 ' N ' ' O ' ' A' ' 15' ' ' TYR . 83.3 m -67.29 -61.58 1.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 108.318 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -41.18 -39.51 1.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.8 m -59.54 -64.58 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 108.276 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.589 ' O ' HD12 ' A' ' 24' ' ' LEU . 4.8 t80 -47.89 -35.76 11.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 111.016 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.482 ' O ' HG22 ' A' ' 26' ' ' THR . . . -72.33 -33.66 61.42 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.2 mtpt -76.29 -26.04 55.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.759 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.425 ' HB1' ' HB ' ' A' ' 80' ' ' ILE . . . -82.65 -45.29 14.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.589 HD12 ' O ' ' A' ' 20' ' ' TYR . 5.3 mt -57.52 -28.7 63.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.92 -5.4 39.61 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.482 HG22 ' O ' ' A' ' 21' ' ' GLY . 9.5 t -74.7 178.8 5.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 0.79 . . . . 0.0 110.392 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 39.2 m -123.11 19.24 9.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.36 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.425 HG22 ' OG1' ' A' ' 26' ' ' THR . 30.1 m -125.7 -175.4 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 0.0 109.254 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 68.1 mtp -94.75 122.83 37.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.947 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.548 HG21 HD13 ' A' ' 24' ' ' LEU . 43.5 t -105.41 136.91 19.16 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 18.4 Cg_endo -74.96 103.02 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.483 1.781 . . . . 0.0 110.992 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.819 HG11 ' CZ ' ' A' ' 55' ' ' PHE . 44.8 t -49.05 118.08 7.16 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.582 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -75.01 78.51 2.88 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.495 1.787 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.471 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 97.4 m-85 -54.01 -64.52 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 111.051 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -37.92 -40.93 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.341 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.547 ' HB3' ' CD2' ' A' ' 84' ' ' PHE . 14.6 mttm -68.22 -69.12 0.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.52 ' CE ' ' CZ ' ' A' ' 78' ' ' PHE . 65.1 mtp -46.55 -44.54 18.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.1 mt -58.1 -49.25 77.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.265 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.1 mtt180 -64.37 -53.54 47.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -131.42 125.26 32.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -96.49 15.91 20.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 81.2 p -92.77 25.54 3.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.996 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -114.89 -60.02 1.94 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.857 HG11 ' CD2' ' A' ' 78' ' ' PHE . 12.0 t -133.02 149.11 31.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.2 t -113.79 153.63 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.519 HG21 ' CB ' ' A' ' 55' ' ' PHE . 78.3 t -113.03 136.19 50.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -144.38 124.59 13.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.263 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.69 30.47 2.59 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.123 . . . . 0.0 110.995 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 49' ' ' LEU . 7.6 mt -100.89 165.03 14.98 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.528 0.781 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.421 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.5 Cg_endo -74.96 156.34 43.14 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.521 1.8 . . . . 0.0 111.02 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.63 130.07 45.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.288 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 63.71 49.45 68.62 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.542 1.151 . . . . 0.0 110.971 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.421 HG11 ' HG2' ' A' ' 50' ' ' PRO . 95.0 t -149.8 137.37 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -104.41 176.69 5.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.819 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 32.4 t80 -88.38 13.81 10.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -48.28 173.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.253 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.445 ' ND1' ' OE2' ' A' ' 59' ' ' GLU . 1.7 t-80 -51.06 142.78 17.3 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.616 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.69 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.97 -29.54 8.17 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.526 1.803 . . . . 0.0 111.045 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.445 ' OE2' ' ND1' ' A' ' 57' ' ' HIS . 11.8 pt-20 -48.44 -22.64 0.75 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 61' ' ' TYR . 42.1 m-80 -87.97 -48.99 7.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.69 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.4 m-30 -36.81 141.8 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 111.027 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.58 149.43 36.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.611 HD12 ' NZ ' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -40.49 -40.34 1.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.2 -53.34 50.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 99.5 m -55.57 -51.28 67.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.429 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 45.6 mt -50.19 -49.96 50.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.081 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.611 ' NZ ' HD12 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -66.19 -35.7 81.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.279 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.454 ' O ' ' N ' ' A' ' 72' ' ' ASN . 63.0 t90 -62.3 -57.89 9.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 108.007 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.482 ' CD1' ' CD2' ' A' ' 61' ' ' TYR . 50.5 mt -43.28 -54.08 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.462 HD12 HD23 ' A' ' 8' ' ' LEU . 73.4 mt -60.33 -39.21 86.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.61 -10.68 59.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 68' ' ' TRP . 4.0 m-80 -140.89 42.25 1.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 0.4 OUTLIER -83.29 -36.65 24.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.45 -28.45 30.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -83.44 -26.55 42.78 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.131 . . . . 0.0 110.952 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.472 ' CD1' HG23 ' A' ' 69' ' ' ILE . 66.6 mt -72.33 119.61 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 0.748 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 m -138.06 135.74 36.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.997 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.857 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -92.07 108.25 19.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.559 1.162 . . . . 0.0 111.04 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.516 HD13 ' N ' ' A' ' 79' ' ' ILE . 4.4 mm -81.83 90.46 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.449 HD13 HG22 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -68.06 139.98 19.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -126.21 -44.4 1.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.268 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -168.11 156.69 8.3 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.333 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -178.23 4.02 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.507 1.793 . . . . 0.0 111.028 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.547 ' CD2' ' HB3' ' A' ' 36' ' ' LYS . 47.3 m-85 -98.97 148.43 23.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.65 110.47 8.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 139.23 156.38 6.95 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 132.71 15.79 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.458 1.768 . . . . 0.0 111.053 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.6 -55.19 3.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.331 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 30.9 t 61.28 171.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.017 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -69.68 -73.05 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.276 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 69.8 111.44 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 95.69 -94.03 1.64 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.481 1.113 . . . . 0.0 111.029 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 146.67 102.4 0.32 Allowed Glycine 0 CA--C 1.531 1.056 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 m -62.44 159.78 14.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 0.773 . . . . 0.0 110.024 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -157.04 -161.69 10.98 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.444 1.09 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 137.98 22.5 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.513 1.796 . . . . 0.0 110.979 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.92 114.94 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.963 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -159.83 152.06 20.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.035 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.501 1.125 . . . . 0.0 111.014 -179.986 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.06 -58.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 0.749 . . . . 0.0 110.024 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.8 m -69.38 158.3 35.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.998 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.93 -126.48 1.83 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.454 1.096 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t -159.81 133.84 7.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 0.0 110.025 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.0 t -172.82 143.93 1.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.041 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.45 150.66 19.45 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 9' ' ' ARG . 0.5 OUTLIER -67.1 -65.71 0.65 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 0.754 . . . . 0.0 109.336 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.473 ' HD2' ' CB ' ' A' ' 59' ' ' GLU . 18.4 ttp180 -38.44 -50.36 1.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 13' ' ' GLU . 2.7 tmtm? -58.02 -56.77 17.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -41.17 -50.81 3.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.495 HG12 ' CE2' ' A' ' 16' ' ' PHE . 75.4 t -56.89 -43.95 81.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.47 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 2.2 mt-10 -66.21 -35.9 81.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.459 ' O ' ' HE3' ' A' ' 29' ' ' MET . 9.0 t0 -71.66 -25.8 62.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 40.2 t80 -79.15 -64.23 1.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.495 ' CE2' HG12 ' A' ' 12' ' ' VAL . 4.7 m-85 -36.78 -34.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 99.8 m -65.31 -66.04 0.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 108.296 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -37.74 -38.28 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.3 m -61.26 -61.93 2.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 108.297 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.587 ' CD2' HD11 ' A' ' 24' ' ' LEU . 3.4 t80 -51.25 -43.95 61.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.98 -36.05 92.78 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.7 mttt -73.0 -25.78 61.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 0.765 . . . . 0.0 109.292 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.09 -40.49 15.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.811 HD13 HG21 ' A' ' 30' ' ' VAL . 11.6 mt -58.11 -33.77 69.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.27 21.29 10.92 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.447 1.092 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.424 ' OG1' HG22 ' A' ' 28' ' ' VAL . 8.7 t -103.1 -178.47 3.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.757 . . . . 0.0 110.438 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.2 p -120.66 19.47 11.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.425 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.424 HG22 ' OG1' ' A' ' 26' ' ' THR . 15.8 m -129.56 -175.36 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.459 ' HE3' ' O ' ' A' ' 14' ' ' ASP . 88.7 mtp -98.34 132.02 44.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.811 HG21 HD13 ' A' ' 24' ' ' LEU . 93.9 t -111.35 140.16 22.7 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.571 ' HD2' HG13 ' A' ' 30' ' ' VAL . 18.1 Cg_endo -75.01 96.39 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.516 1.798 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.77 HG11 ' HZ ' ' A' ' 55' ' ' PHE . 48.1 t -41.79 115.18 1.42 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.586 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -74.94 87.27 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.453 1.765 . . . . 0.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.437 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 96.0 m-85 -63.18 -66.91 0.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 111.043 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 34' ' ' TYR . 4.6 tt0 -35.35 -43.82 0.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.564 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 37.3 mttt -63.04 -69.44 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.433 ' HE3' ' CE2' ' A' ' 78' ' ' PHE . 78.5 mtp -48.65 -37.24 17.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.5 mt -64.9 -42.33 94.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.359 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -70.06 -50.15 43.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 110.33 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -135.16 118.7 16.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -91.51 18.08 7.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.95 24.69 5.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.997 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -114.41 -55.86 2.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.862 HG11 ' CD2' ' A' ' 78' ' ' PHE . 6.1 t -132.94 150.02 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.7 t -117.03 148.45 19.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.528 HG21 ' CB ' ' A' ' 55' ' ' PHE . 74.5 t -107.62 138.25 34.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -145.63 127.86 15.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.9 29.98 3.62 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.558 1.161 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.424 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 8.7 mt -101.4 165.29 14.36 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.752 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.627 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.3 Cg_endo -74.99 173.15 15.0 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 0.0 111.015 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 1.005 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -65.44 145.22 56.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.307 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 41.8 45.77 4.77 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.513 1.133 . . . . 0.0 110.931 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 1.005 HG23 ' O ' ' A' ' 51' ' ' GLU . 93.8 t -136.73 135.77 48.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 0.757 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -104.44 178.53 4.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.77 ' HZ ' HG11 ' A' ' 32' ' ' VAL . 38.6 t80 -90.23 15.26 10.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.497 ' HG3' ' CE1' ' A' ' 61' ' ' TYR . 11.5 pt20 -47.4 170.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.514 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.6 t-80 -50.93 146.85 9.69 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.641 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.692 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -75.01 -30.87 6.69 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.539 1.81 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.473 ' CB ' ' HD2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -50.14 -21.4 1.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -88.09 -51.19 5.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.255 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.692 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 22.0 m-30 -37.46 140.56 0.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.968 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 65' ' ' THR . 0.4 OUTLIER -74.14 146.97 43.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 62' ' ' ASP . 5.9 tp -39.63 -35.14 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.63 -53.49 22.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 62' ' ' ASP . 37.8 m -55.81 -50.49 70.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.422 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 40.8 mt -49.13 -49.65 41.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.48 -32.97 74.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.4 ' O ' ' N ' ' A' ' 72' ' ' ASN . 62.3 t90 -63.69 -58.56 6.51 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.762 HG23 ' CD1' ' A' ' 76' ' ' ILE . 76.4 mt -44.66 -51.77 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.314 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 77.6 mt -60.61 -42.55 97.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.85 -16.76 64.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 68' ' ' TRP . 4.3 m-80 -137.91 46.28 2.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 1.0 OUTLIER -83.31 -42.51 17.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.59 -23.31 4.09 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.142 . . . . 0.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -85.03 -27.21 34.67 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.762 ' CD1' HG23 ' A' ' 69' ' ' ILE . 57.7 mt -72.48 123.34 26.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 0.755 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.9 p -140.6 139.69 34.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.01 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.862 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -96.08 109.04 21.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 111.042 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.506 HD13 ' N ' ' A' ' 79' ' ' ILE . 4.4 mm -83.56 89.9 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.24 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.527 HD13 HG22 ' A' ' 44' ' ' VAL . 0.5 OUTLIER -65.75 146.74 13.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.269 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -131.81 -48.41 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.238 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -163.6 157.41 16.56 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 110.315 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -177.63 3.61 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.532 1.806 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 23.2 m-85 -99.66 151.5 21.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -82.48 125.76 31.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 135.49 154.41 6.98 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.523 1.139 . . . . 0.0 111.053 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 174.59 12.53 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.505 1.792 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -156.04 101.86 2.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.278 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.93 118.53 21.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 109.983 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -102.04 138.8 38.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -174.95 148.38 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 131.82 163.24 10.72 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.51 1.131 . . . . 0.0 110.969 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 125.75 96.82 1.06 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 53.8 p -139.99 159.56 41.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 0.764 . . . . 0.0 110.03 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 176.36 97.23 0.11 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.457 1.098 . . . . 0.0 111.022 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 146.53 32.78 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.503 1.791 . . . . 0.0 110.951 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.62 114.55 1.85 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.035 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.26 133.27 16.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.994 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -129.96 -57.98 1.09 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 0.734 . . . . 0.0 109.967 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 p 55.88 169.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.997 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.38 80.55 0.29 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.507 1.129 . . . . 0.0 111.015 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.7 t -177.66 158.41 1.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 0.765 . . . . 0.0 110.055 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.3 m -138.24 166.86 23.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.973 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.85 -150.91 23.24 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.492 HD23 ' CD1' ' A' ' 70' ' ' LEU . 0.6 OUTLIER -61.25 -57.87 10.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 0.746 . . . . 0.0 109.339 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -41.85 -50.92 4.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.26 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 13' ' ' GLU . 0.7 OUTLIER -67.03 -49.3 65.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -45.58 -51.27 12.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.552 HG11 ' HB3' ' A' ' 58' ' ' PRO . 45.8 t -55.09 -35.11 33.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.449 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 2.4 mm-40 -76.34 -42.65 44.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 110.274 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.27 -15.83 28.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.525 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 76.6 t80 -90.45 -66.18 0.95 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.977 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' A' ' 15' ' ' TYR . 6.4 m-85 -35.91 -36.52 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 83.9 m -63.75 -61.67 2.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 108.307 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -43.92 -35.69 2.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 12.9 m -63.74 -61.38 2.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 108.257 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.599 ' O ' HD12 ' A' ' 24' ' ' LEU . 3.3 t80 -51.87 -37.05 50.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.467 ' O ' HG22 ' A' ' 26' ' ' THR . . . -71.38 -32.41 65.06 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.48 1.113 . . . . 0.0 111.007 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -77.43 -26.74 51.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 0.736 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.58 -44.77 15.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.65 HD13 HG21 ' A' ' 30' ' ' VAL . 4.9 mt -57.82 -33.19 68.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.42 24.61 10.03 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.524 1.14 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.467 HG22 ' O ' ' A' ' 21' ' ' GLY . 8.8 t -100.46 172.65 6.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 0.759 . . . . 0.0 110.406 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.55 ' O ' HG22 ' A' ' 27' ' ' THR . 39.3 m -111.93 19.66 17.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.429 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.443 HG22 ' OG1' ' A' ' 26' ' ' THR . 11.8 m -132.98 -173.86 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 78.0 mtp -98.64 133.05 43.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.65 HG21 HD13 ' A' ' 24' ' ' LEU . 65.3 t -114.59 136.74 22.45 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 18.3 Cg_endo -75.0 107.69 2.54 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.508 1.794 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.829 HG11 ' HZ ' ' A' ' 55' ' ' PHE . 43.7 t -51.59 116.87 8.49 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.597 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -74.98 82.49 1.99 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.51 1.795 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.406 ' O ' ' C ' ' A' ' 35' ' ' GLU . 67.6 m-85 -59.16 -65.22 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 34' ' ' TYR . 1.4 tp10 -38.27 -37.55 0.29 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.566 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 17.9 mtpt -69.58 -67.48 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.504 ' HE3' ' CE2' ' A' ' 78' ' ' PHE . 72.4 mtp -50.43 -41.97 53.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.976 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 26.6 mt -59.62 -39.88 85.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -74.26 -53.77 9.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.319 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -127.36 120.04 27.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -93.64 18.1 10.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.5 m -99.56 27.23 5.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.039 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -116.21 -55.67 2.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.802 HG11 ' CD2' ' A' ' 78' ' ' PHE . 9.2 t -136.19 149.73 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 24.7 t -116.14 145.99 21.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.339 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.478 HG21 ' CB ' ' A' ' 55' ' ' PHE . 72.6 t -104.84 136.57 37.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -143.68 124.33 14.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.266 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.4 ' O ' ' CG1' ' A' ' 76' ' ' ILE . . . 113.71 29.21 2.95 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.421 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 8.5 mt -101.33 165.2 14.54 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.488 0.758 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.672 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.3 Cg_endo -75.02 168.74 24.15 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 1.0 ' O ' HG23 ' A' ' 53' ' ' VAL . 11.8 tt0 -62.44 144.75 55.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 42.47 45.51 5.45 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.56 1.163 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 1.0 HG23 ' O ' ' A' ' 51' ' ' GLU . 94.8 t -136.7 131.1 47.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.542 0.789 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -99.66 173.58 6.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.829 ' HZ ' HG11 ' A' ' 32' ' ' VAL . 32.5 t80 -86.97 14.89 6.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 111.039 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.447 ' HG3' ' CE1' ' A' ' 61' ' ' TYR . 11.6 pt20 -45.52 169.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.444 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.7 t-80 -50.15 144.83 10.58 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.57 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.696 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.96 -28.56 9.14 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.549 1.815 . . . . 0.0 111.005 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.26 -19.87 2.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 61' ' ' TYR . 40.2 m-80 -89.87 -49.83 6.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.696 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.8 m-30 -37.08 137.0 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' LEU . 3.4 m-20 -71.01 147.17 48.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' ASP . 2.1 tp -39.66 -32.9 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.132 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.402 ' N ' ' C ' ' A' ' 62' ' ' ASP . . . -70.52 -56.29 6.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 56.7 m -53.18 -50.35 64.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.39 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 41.4 mt -48.23 -51.17 26.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.468 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -65.91 -32.53 74.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.405 ' O ' ' N ' ' A' ' 72' ' ' ASN . 50.9 t90 -63.74 -57.64 9.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 108.005 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.536 ' CD1' ' CD2' ' A' ' 61' ' ' TYR . 35.2 mt -45.63 -49.45 4.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.492 ' CD1' HD23 ' A' ' 8' ' ' LEU . 48.8 mt -63.95 -38.22 90.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.14 -7.7 54.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' A' ' 68' ' ' TRP . 5.5 m-80 -144.17 40.41 1.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.525 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 5.7 pttt -85.81 -34.25 21.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.79 -19.62 12.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -94.73 -23.56 20.55 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.46 ' CD1' HG23 ' A' ' 69' ' ' ILE . 67.6 mt -73.03 122.95 26.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 0.784 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.9 p -141.29 139.79 33.73 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 110.032 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.802 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -95.22 108.18 20.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 110.952 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.511 HD13 ' N ' ' A' ' 79' ' ' ILE . 4.3 mm -82.27 90.08 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.598 HD13 HG22 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -65.24 144.03 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.152 . . . . 0.0 109.334 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -129.54 -45.78 1.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -168.03 156.5 8.31 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 179.4 6.12 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.501 1.79 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.566 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 41.1 m-85 -96.33 172.12 8.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.1 mp -101.84 105.98 16.9 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -120.98 162.12 14.81 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 177.5 8.51 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.528 1.804 . . . . 0.0 110.988 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -166.75 98.04 0.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 48.2 p -146.33 152.63 39.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.004 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -136.58 156.79 48.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.24 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -146.09 -53.49 0.26 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 116.37 146.35 8.55 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.508 1.13 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -173.71 -116.63 0.43 Allowed Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.3 t 61.35 155.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 0.771 . . . . 0.0 109.995 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -164.25 80.09 0.13 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.131 . . . . 0.0 111.033 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 144.75 30.69 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.484 1.781 . . . . 0.0 110.987 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 24.4 p -156.33 132.28 9.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.994 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.67 164.14 14.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.954 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -54.62 107.54 0.3 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 0.764 . . . . 0.0 110.017 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.1 p 47.98 96.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.008 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.63 178.93 44.89 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.72 170.57 7.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 0.749 . . . . 0.0 109.982 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.3 t -179.16 103.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.996 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.24 169.32 45.83 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.533 1.146 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.463 ' CD2' ' HG3' ' A' ' 67' ' ' LYS . 0.6 OUTLIER -80.98 -57.23 3.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 0.731 . . . . 0.0 109.326 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.479 ' CD ' ' HA ' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -38.37 -53.79 1.49 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -63.89 -52.48 59.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -39.74 -42.38 1.24 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.535 HG12 ' CE2' ' A' ' 16' ' ' PHE . 96.8 t -67.91 -59.05 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.46 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 2.4 mt-10 -51.87 -25.34 7.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.265 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -74.65 -29.3 61.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.511 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 78.6 t80 -80.85 -61.81 1.85 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.098 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.535 ' CE2' HG12 ' A' ' 12' ' ' VAL . 6.1 m-85 -36.36 -36.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.994 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 70.9 m -65.34 -65.15 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 108.289 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -40.73 -31.63 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.0 m -67.38 -63.74 1.0 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 108.301 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.592 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 5.9 t80 -49.26 -37.66 24.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.6 ' O ' HG22 ' A' ' 26' ' ' THR . . . -70.31 -36.54 70.36 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.472 1.108 . . . . 0.0 110.954 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -71.41 -25.52 62.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 0.794 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.17 -46.81 12.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.525 HD11 ' CD2' ' A' ' 20' ' ' TYR . 4.4 mt -58.72 -21.39 54.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.15 30.97 18.42 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 111.023 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.6 HG22 ' O ' ' A' ' 21' ' ' GLY . 5.7 t -106.19 171.42 7.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.752 . . . . 0.0 110.399 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.601 ' O ' HG22 ' A' ' 27' ' ' THR . 18.4 m -112.99 20.86 15.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.407 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.469 HG22 ' OG1' ' A' ' 26' ' ' THR . 15.4 m -134.16 -177.69 2.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 61.7 mtp -92.77 135.17 34.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.524 HG12 ' CD2' ' A' ' 20' ' ' TYR . 46.5 t -116.4 137.47 23.58 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 18.3 Cg_endo -75.01 106.66 2.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.467 1.772 . . . . 0.0 110.991 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.811 HG11 ' CZ ' ' A' ' 55' ' ' PHE . 56.0 t -51.19 117.33 8.77 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.256 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.592 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -75.07 74.66 3.97 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.458 1.767 . . . . 0.0 110.963 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.525 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 95.1 m-85 -52.29 -64.52 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -38.46 -38.85 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.526 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 5.8 mtpt -70.09 -69.38 0.36 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 79.7 mtp -47.82 -48.28 30.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.6 mt -53.53 -49.83 66.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -61.8 -56.14 22.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.65 125.08 35.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -95.22 18.8 11.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.83 29.24 3.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.021 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -121.22 -54.41 2.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 109.342 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.567 HG22 HD13 ' A' ' 80' ' ' ILE . 10.8 t -135.92 142.84 37.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.6 t -109.67 147.36 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.492 HG21 ' CB ' ' A' ' 55' ' ' PHE . 79.3 t -106.89 138.72 31.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -145.25 126.97 15.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 110.258 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.73 31.06 3.05 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.561 1.163 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 49' ' ' LEU . 7.0 mt -102.66 165.15 14.25 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.692 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.3 Cg_endo -75.02 172.25 16.74 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.521 1.801 . . . . 0.0 110.946 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 1.022 ' O ' HG23 ' A' ' 53' ' ' VAL . 25.3 tt0 -62.63 146.2 52.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 110.331 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 38.07 48.18 2.01 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.538 1.149 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 1.022 HG23 ' O ' ' A' ' 51' ' ' GLU . 92.8 t -136.82 131.94 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -101.36 172.55 6.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.153 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.811 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 33.4 t80 -85.05 13.3 6.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 57' ' ' HIS . 13.3 pt20 -49.61 162.47 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.451 ' ND1' ' OE1' ' A' ' 59' ' ' GLU . 1.7 t-80 -39.96 142.33 0.7 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.578 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.691 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -75.02 -27.8 9.67 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.447 1.762 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.479 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 12.2 pt-20 -50.39 -20.9 1.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 61' ' ' TYR . 56.6 m-80 -89.02 -48.23 7.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.691 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.8 m-30 -36.83 147.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' LEU . 3.5 m-20 -82.54 148.97 27.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' ASP . 16.8 tp -39.86 -36.41 0.45 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.99 -56.72 7.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.107 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 73.1 m -52.13 -48.35 64.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.427 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 53.9 mt -53.04 -55.11 26.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.463 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -63.52 -28.25 69.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.428 ' O ' ' N ' ' A' ' 71' ' ' GLU . 72.5 t90 -68.24 -63.02 1.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 107.979 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.888 HG23 ' CD1' ' A' ' 76' ' ' ILE . 75.1 mt -42.11 -49.72 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.454 ' CD1' HD23 ' A' ' 8' ' ' LEU . 90.8 mt -60.69 -43.03 98.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 68' ' ' TRP . 0.8 OUTLIER -68.3 -17.49 64.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -135.56 45.81 2.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.511 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 0.7 OUTLIER -81.19 -41.89 21.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.91 -25.6 3.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -83.46 -27.43 39.45 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.46 1.1 . . . . 0.0 110.984 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.888 ' CD1' HG23 ' A' ' 69' ' ' ILE . 37.4 mt -71.53 122.98 24.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 0.779 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.8 p -142.89 135.15 27.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.994 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.529 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -91.14 106.35 18.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.492 HD13 ' N ' ' A' ' 79' ' ' ILE . 4.7 mm -81.37 88.92 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.567 HD13 HG22 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -66.15 131.06 31.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -114.57 -40.19 3.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -174.37 156.64 2.36 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.324 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 178.61 7.04 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.535 1.808 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.526 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 64.6 m-85 -95.96 146.65 24.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.94 161.79 29.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 77.9 171.45 37.4 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.526 1.141 . . . . 0.0 111.04 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 152.64 41.13 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.541 1.811 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.21 156.97 47.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.27 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.8 t 65.88 122.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.98 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.54 145.99 24.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 110.312 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 45.1 tp -138.17 152.63 48.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 167.45 136.51 2.05 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 124.76 103.36 1.48 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.16 154.53 3.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 0.754 . . . . 0.0 110.026 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 103.4 86.9 1.97 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.12 . . . . 0.0 110.962 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 171.72 17.78 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.52 1.8 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.3 t 60.61 158.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.98 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 35.2 p 178.18 -58.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.986 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.507 1.13 . . . . 0.0 110.974 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.59 -59.03 1.45 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.554 0.796 . . . . 0.0 110.02 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.2 m -93.36 158.25 15.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.97 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.95 112.52 1.24 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.9 m -165.39 158.85 16.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 0.781 . . . . 0.0 109.996 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.4 m 62.65 114.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.04 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.506 ' O ' ' HB2' ' A' ' 11' ' ' ALA . . . 179.16 -163.68 31.39 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.57 HD22 ' HD2' ' A' ' 67' ' ' LYS . 0.4 OUTLIER -93.85 -67.07 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 8' ' ' LEU . 2.2 ttm180 -38.04 -48.71 1.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 110.329 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -49.9 65.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.506 ' HB2' ' O ' ' A' ' 7' ' ' GLY . . . -43.85 -47.71 8.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.506 HG12 ' CE2' ' A' ' 16' ' ' PHE . 78.5 t -59.15 -44.92 92.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.454 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 1.8 mm-40 -66.59 -31.18 71.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.321 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.74 -20.93 63.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.561 ' CE2' ' HB2' ' A' ' 73' ' ' LYS . 79.5 t80 -88.4 -62.96 1.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.439 1.087 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.506 ' CE2' HG12 ' A' ' 12' ' ' VAL . 5.7 m-85 -36.14 -40.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 99.4 m -60.47 -63.01 1.45 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.105 . . . . 0.0 108.268 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -40.96 -38.57 0.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.961 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.7 m -62.58 -58.89 5.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 108.296 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.593 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 4.5 t80 -51.94 -40.63 61.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.11 -38.08 92.05 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -70.53 -25.88 63.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 0.754 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.11 -46.14 13.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.585 HD13 HG21 ' A' ' 30' ' ' VAL . 4.4 mt -57.52 -26.02 60.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.62 -8.9 52.0 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.122 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.584 ' OG1' HG22 ' A' ' 28' ' ' VAL . 6.0 t -71.96 168.08 18.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 0.746 . . . . 0.0 110.433 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.2 m -110.63 14.98 22.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.364 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.584 HG22 ' OG1' ' A' ' 26' ' ' THR . 11.0 m -122.96 -178.36 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 60.3 mtp -92.78 127.27 38.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.585 HG21 HD13 ' A' ' 24' ' ' LEU . 53.6 t -110.37 138.95 21.06 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.442 ' HD2' HG13 ' A' ' 30' ' ' VAL . 18.6 Cg_endo -74.95 111.82 3.42 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.49 1.784 . . . . 0.0 111.063 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.839 HG11 ' CZ ' ' A' ' 55' ' ' PHE . 49.5 t -56.95 116.45 13.37 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.593 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.4 Cg_endo -74.99 81.17 2.26 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.455 1.766 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.411 ' O ' ' C ' ' A' ' 35' ' ' GLU . 35.7 m-85 -58.42 -62.81 1.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -38.26 -32.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.551 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 16.9 mttm -76.73 -67.76 0.67 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.521 ' HE3' ' CE2' ' A' ' 78' ' ' PHE . 61.0 mtp -48.58 -37.12 17.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.2 mt -64.46 -41.55 96.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.3 mtt180 -71.15 -53.49 14.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -128.89 120.84 26.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -93.26 18.27 9.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 m -101.01 30.29 4.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 110.001 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -116.57 -60.74 1.82 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.771 HG11 ' CD2' ' A' ' 78' ' ' PHE . 13.2 t -133.21 142.05 43.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.4 t -104.42 154.82 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.523 HG21 ' CB ' ' A' ' 55' ' ' PHE . 74.3 t -113.6 138.97 41.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -144.93 127.82 16.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.58 33.32 2.7 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 49' ' ' LEU . 7.6 mt -105.31 164.44 15.09 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.477 0.751 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.485 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.2 Cg_endo -75.02 156.96 42.91 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.5 1.79 . . . . 0.0 110.977 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -57.33 132.26 52.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 59.34 50.45 67.59 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.485 HG11 ' HG2' ' A' ' 50' ' ' PRO . 99.0 t -148.6 130.08 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 0.747 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.38 174.52 6.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.839 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 37.9 t80 -86.26 14.73 6.06 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -47.75 163.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.262 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.409 ' ND1' ' HD2' ' A' ' 58' ' ' PRO . 1.7 t-80 -42.77 143.26 1.22 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 109.589 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.692 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -74.99 -28.34 9.26 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.531 1.806 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.4 -20.59 1.84 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 61' ' ' TYR . 29.2 m-80 -89.26 -48.3 7.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.692 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.5 m-30 -37.06 146.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 63' ' ' LEU . 1.2 m-20 -82.2 152.98 26.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.462 ' CD1' ' HE3' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -39.71 -48.86 2.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 68' ' ' TRP . . . -56.74 -58.31 8.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 88.7 m -50.32 -53.81 26.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.445 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 44.0 mt -47.96 -52.29 20.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.57 ' HD2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -67.61 -28.73 67.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.328 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.441 ' N ' ' O ' ' A' ' 64' ' ' ALA . 57.4 t90 -66.61 -57.92 6.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 107.988 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.738 HG23 ' CD1' ' A' ' 76' ' ' ILE . 48.9 mt -47.76 -46.07 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.498 ' CD1' HD23 ' A' ' 8' ' ' LEU . 61.0 mt -64.98 -39.75 93.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.244 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.23 -13.12 61.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.122 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -141.32 43.34 1.77 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.561 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . 11.5 pttp -80.97 -41.67 22.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.43 -22.35 2.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -87.44 -24.66 35.7 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.738 ' CD1' HG23 ' A' ' 69' ' ' ILE . 42.8 mt -72.41 121.82 23.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.469 0.747 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.6 m -138.33 142.8 39.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.985 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.771 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -101.27 109.37 21.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 111.032 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.471 ' N ' HD13 ' A' ' 79' ' ' ILE . 5.2 mm -83.36 90.2 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.625 HD13 HG22 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -64.85 139.46 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -125.61 -46.84 1.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.1 ptt180 -167.16 156.58 9.58 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.27 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 178.58 7.07 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.449 1.763 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.551 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 49.5 m-85 -94.82 -179.97 5.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.76 131.74 54.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 134.8 156.57 7.79 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -173.78 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.482 1.78 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -136.9 136.56 38.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.323 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.13 125.99 52.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.023 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.68 103.07 5.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.258 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 58.4 102.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -174.55 163.26 33.72 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 110.952 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 142.6 91.95 0.17 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.0 m -79.41 91.49 5.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 0.793 . . . . 0.0 110.01 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -108.87 140.51 15.63 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.526 1.142 . . . . 0.0 111.031 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 123.52 7.94 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.464 1.77 . . . . 0.0 110.973 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.8 t -109.14 105.0 14.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.102 . . . . 0.0 110.035 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.9 m -63.39 -59.61 4.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.938 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.557 1.161 . . . . 0.0 110.992 -179.943 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -170.05 100.06 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 0.797 . . . . 0.0 109.986 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.8 t -62.07 128.24 35.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.036 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 49.7 -153.3 3.16 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.477 1.111 . . . . 0.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.22 88.52 2.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.755 . . . . 0.0 110.041 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 t 62.47 149.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.977 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.524 ' O ' ' HB2' ' A' ' 11' ' ' ALA . . . -140.79 -176.5 15.36 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.563 HD22 ' HD2' ' A' ' 67' ' ' LYS . 0.5 OUTLIER -93.43 -66.62 0.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 0.769 . . . . 0.0 109.271 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 8' ' ' LEU . 14.1 ttp180 -37.93 -52.6 1.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -50.33 71.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.524 ' HB2' ' O ' ' A' ' 7' ' ' GLY . . . -44.97 -43.33 8.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.511 HG12 ' CE2' ' A' ' 16' ' ' PHE . 74.8 t -61.65 -50.87 78.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.477 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 3.0 mt-10 -57.3 -36.41 71.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 110.331 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -60.58 -40.05 90.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.515 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 67.1 t80 -67.84 -64.67 0.81 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 110.99 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.511 ' CE2' HG12 ' A' ' 12' ' ' VAL . 6.9 m-85 -36.03 -45.18 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 77.4 m -62.45 -55.01 31.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 108.317 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 15' ' ' TYR . 1.1 t80 -50.87 -30.52 14.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.6 m -69.69 -57.16 5.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 108.266 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.579 ' CD2' HD11 ' A' ' 24' ' ' LEU . 2.9 t80 -54.45 -38.74 66.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.25 -35.0 76.1 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt -73.8 -25.63 60.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 0.743 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.74 -45.3 13.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.68 HD13 HG21 ' A' ' 30' ' ' VAL . 3.9 mt -58.97 -33.64 70.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.58 26.26 7.31 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.652 ' OG1' HG22 ' A' ' 28' ' ' VAL . 4.4 t -107.2 162.97 13.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.77 . . . . 0.0 110.405 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.5 m -105.14 21.76 16.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.41 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.652 HG22 ' OG1' ' A' ' 26' ' ' THR . 19.8 m -131.21 -177.96 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.3 mtm -95.64 133.51 39.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.969 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.68 HG21 HD13 ' A' ' 24' ' ' LEU . 58.8 t -111.11 139.26 21.65 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.479 ' HD2' HG13 ' A' ' 30' ' ' VAL . 18.3 Cg_endo -74.98 92.55 0.98 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.481 1.779 . . . . 0.0 110.973 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.734 HG11 ' HZ ' ' A' ' 55' ' ' PHE . 56.1 t -40.2 115.52 1.14 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.57 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -75.06 82.2 2.07 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.515 1.798 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.499 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 94.6 m-85 -59.53 -63.76 1.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -38.92 -39.13 0.5 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 110.334 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.562 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 1.3 mtpp -67.75 -69.23 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.525 ' HE3' ' CE2' ' A' ' 78' ' ' PHE . 77.9 mtp -49.22 -41.8 38.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 111.038 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.3 mt -59.71 -49.08 79.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.2 mtt180 -62.99 -53.85 47.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -132.68 125.77 31.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 109.273 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -96.48 19.02 12.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.324 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 m -95.55 27.15 3.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.967 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -119.48 -52.64 2.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.813 HG11 ' CD2' ' A' ' 78' ' ' PHE . 5.9 t -137.53 151.94 26.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 27.2 t -119.31 145.01 26.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.574 HG21 ' CB ' ' A' ' 55' ' ' PHE . 79.3 t -104.09 137.24 33.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -144.74 125.77 14.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.261 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 112.66 31.42 2.55 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.414 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 7.7 mt -103.2 164.47 15.42 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.472 0.748 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.426 ' HG2' HG21 ' A' ' 53' ' ' VAL . 18.3 Cg_endo -74.96 157.28 43.03 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.591 1.837 . . . . 0.0 110.981 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -59.23 129.11 40.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 110.289 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 65.31 48.99 63.63 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.56 1.162 . . . . 0.0 111.049 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.426 HG21 ' HG2' ' A' ' 50' ' ' PRO . 85.7 t -150.23 135.48 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.441 0.73 . . . . 0.0 109.321 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -103.17 178.35 4.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.734 ' HZ ' HG11 ' A' ' 32' ' ' VAL . 45.5 t80 -88.78 15.1 8.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -50.9 166.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.418 ' ND1' ' OE2' ' A' ' 59' ' ' GLU . 1.7 t-80 -43.3 142.11 1.73 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.589 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.685 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.95 -28.54 9.17 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.419 1.747 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.418 ' OE2' ' ND1' ' A' ' 57' ' ' HIS . 12.4 pt-20 -49.6 -21.88 1.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 61' ' ' TYR . 32.1 m-80 -88.67 -48.21 7.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.685 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.1 m-30 -37.01 139.32 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 111.012 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 63' ' ' LEU . 2.5 m-20 -74.44 150.97 39.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.457 ' CD2' ' HE2' ' A' ' 67' ' ' LYS . 1.3 tp -39.24 -51.45 1.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 68' ' ' TRP . . . -54.67 -54.31 43.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 83.7 m -53.47 -55.32 26.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.423 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 44.1 mt -47.0 -49.45 20.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.361 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.563 ' HD2' HD22 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -69.37 -29.49 67.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.408 ' N ' ' O ' ' A' ' 64' ' ' ALA . 61.3 t90 -65.78 -58.52 5.45 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.816 HG23 ' CD1' ' A' ' 76' ' ' ILE . 68.4 mt -46.01 -49.92 4.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.42 ' CD1' HD23 ' A' ' 8' ' ' LEU . 70.5 mt -60.89 -43.5 98.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.45 -18.41 65.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -135.72 46.78 2.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.15 . . . . 0.0 109.321 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 1.5 ptmm? -82.35 -43.4 17.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.95 -23.47 2.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -83.76 -27.0 39.79 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.467 1.104 . . . . 0.0 111.004 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.816 ' CD1' HG23 ' A' ' 69' ' ' ILE . 57.7 mt -72.19 122.85 25.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.529 0.782 . . . . 0.0 109.308 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.8 m -141.73 135.15 29.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.001 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.813 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -92.01 108.09 19.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.48 HD13 ' N ' ' A' ' 79' ' ' ILE . 4.8 mm -83.55 91.08 2.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.625 HD13 HG22 ' A' ' 44' ' ' VAL . 0.9 OUTLIER -65.77 150.88 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -137.29 -47.34 0.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 109.247 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -164.3 156.3 14.31 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.276 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -176.05 2.68 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.458 1.767 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.562 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 27.5 m-85 -100.32 162.65 12.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.4 mp -96.86 159.09 15.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 102.68 158.32 25.66 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.477 1.11 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 174.47 12.71 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.476 1.777 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -156.65 142.12 17.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.32 143.66 30.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.022 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -167.73 114.92 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.33 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.4 tp -163.61 149.31 11.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -118.01 -166.33 13.77 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -176.34 136.03 3.1 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.84 146.9 2.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 110.074 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -173.96 103.03 0.18 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.14 . . . . 0.0 110.987 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 176.47 9.88 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.499 1.789 . . . . 0.0 110.964 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 83.5 p -152.62 172.06 17.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.961 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.8 t -146.51 155.6 42.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.997 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 m -96.74 134.69 39.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 0.0 109.971 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.3 t -82.14 84.91 6.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.024 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.14 -99.87 1.68 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.542 1.151 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.0 t 46.69 87.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.409 0.711 . . . . 0.0 110.002 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 173.54 105.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.005 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.59 163.23 26.17 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.468 ' CD2' ' HG3' ' A' ' 67' ' ' LYS . 0.6 OUTLIER -67.3 -57.77 6.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 0.759 . . . . 0.0 109.264 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.7 mtm180 -43.43 -45.99 6.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 13' ' ' GLU . 10.2 mmtm -70.39 -52.59 21.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -40.64 -53.14 2.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.476 HG12 ' CE2' ' A' ' 16' ' ' PHE . 83.1 t -54.33 -44.33 65.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.466 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 2.6 mt-10 -68.75 -30.21 68.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -74.74 -16.36 60.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 33.1 t80 -92.06 -60.73 1.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.476 ' CE2' HG12 ' A' ' 12' ' ' VAL . 4.1 m-85 -37.63 -39.56 0.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 89.8 m -64.12 -53.51 48.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 108.288 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.463 ' N ' ' O ' ' A' ' 15' ' ' TYR . 1.5 t80 -49.55 -28.21 5.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.0 m -73.92 -58.99 2.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 108.28 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.592 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 4.6 t80 -53.22 -35.85 60.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.35 -35.4 60.09 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.4 mttm -73.6 -26.44 60.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 0.736 . . . . 0.0 109.268 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.8 -44.61 15.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.353 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.685 HD13 HG21 ' A' ' 30' ' ' VAL . 5.5 mt -59.3 -32.43 70.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.138 . . . . 0.0 109.297 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.27 28.13 7.36 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.589 ' OG1' HG22 ' A' ' 28' ' ' VAL . 14.9 t -109.65 152.58 25.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 110.386 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.7 p -94.01 23.53 4.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 110.413 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.589 HG22 ' OG1' ' A' ' 26' ' ' THR . 27.0 m -132.73 -174.63 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.7 mtm -99.75 131.82 45.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.685 HG21 HD13 ' A' ' 24' ' ' LEU . 59.1 t -109.41 138.38 20.52 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.456 ' HD2' HG13 ' A' ' 30' ' ' VAL . 18.2 Cg_endo -75.03 101.06 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.476 1.777 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.734 HG11 ' CZ ' ' A' ' 55' ' ' PHE . 51.5 t -47.66 113.75 2.78 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.592 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -75.02 83.97 1.74 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.485 1.782 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.446 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 96.4 m-85 -60.16 -64.92 0.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 111.034 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -36.66 -40.16 0.24 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.554 1.159 . . . . 0.0 110.317 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.549 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 67.4 mttt -69.47 -69.12 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.539 ' HE3' ' CE2' ' A' ' 78' ' ' PHE . 89.6 mtp -47.7 -37.37 12.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.8 mt -65.48 -51.49 59.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -60.22 -53.12 61.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -130.47 127.67 39.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -98.54 16.19 22.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.246 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.22 27.49 3.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.983 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -118.85 -54.48 2.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.261 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.852 HG11 ' CD2' ' A' ' 78' ' ' PHE . 8.2 t -136.7 152.21 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.273 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.6 t -119.35 150.52 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.554 HG21 ' CB ' ' A' ' 55' ' ' PHE . 69.5 t -110.02 136.65 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -144.94 124.09 12.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.267 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 115.22 30.16 2.35 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.417 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 7.0 mt -101.73 164.55 15.67 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.417 ' HD2' ' HB3' ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.01 158.55 42.1 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.477 1.778 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.61 129.74 43.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 64.17 49.51 66.07 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 89.6 t -150.99 135.86 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.258 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -103.61 -179.88 4.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.734 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 44.6 t80 -89.88 14.75 11.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -49.6 165.77 0.06 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.403 ' ND1' ' HD2' ' A' ' 58' ' ' PRO . 1.7 t-80 -44.28 143.11 2.04 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.568 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.688 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.0 -29.0 8.69 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 0.0 110.99 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -48.8 -22.5 0.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 61' ' ' TYR . 32.1 m-80 -87.58 -49.34 7.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.688 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.1 m-30 -37.35 144.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 65' ' ' THR . 1.8 m-20 -78.38 147.65 34.01 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.4 tp -40.27 -36.69 0.55 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.2 -54.08 24.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 62' ' ' ASP . 93.5 m -54.83 -51.03 67.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.364 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 38.9 mt -48.6 -50.51 32.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.468 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -67.15 -31.52 72.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 63.3 t90 -64.94 -58.64 5.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 107.99 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.881 HG23 ' CD1' ' A' ' 76' ' ' ILE . 73.3 mt -45.08 -52.12 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 90.2 mt -59.99 -43.35 95.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.262 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.91 -17.61 64.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.251 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -136.04 45.3 2.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 1.7 ptmm? -81.04 -42.14 21.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.73 -23.74 2.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.63 -28.28 32.88 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.494 1.121 . . . . 0.0 111.017 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.881 ' CD1' HG23 ' A' ' 69' ' ' ILE . 60.7 mt -72.23 119.72 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 0.778 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 m -138.05 136.87 37.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.852 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -93.62 110.82 22.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.945 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.496 HD13 ' N ' ' A' ' 79' ' ' ILE . 4.7 mm -84.25 91.04 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.579 1.174 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.596 HD13 HG22 ' A' ' 44' ' ' VAL . 0.8 OUTLIER -68.58 142.45 16.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -129.39 -45.89 1.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -163.47 155.4 15.04 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 176.55 9.77 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.523 1.802 . . . . 0.0 110.951 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.549 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 45.1 m-85 -92.23 164.45 13.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 111.032 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.2 mt -90.79 99.61 12.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 159.32 174.31 28.88 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 155.37 42.6 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.525 1.803 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.05 144.02 45.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 110.325 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.43 149.8 15.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.006 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -116.79 -36.47 3.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.83 -178.17 5.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 159.45 119.37 0.54 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.446 1.091 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 117.82 -177.63 16.63 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.4 t -179.04 151.81 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 0.759 . . . . 0.0 109.991 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -124.36 155.05 18.05 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.509 1.13 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -173.83 1.71 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.473 1.775 . . . . 0.0 111.01 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 24.4 t -146.15 136.17 23.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.018 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.66 168.63 5.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 O-C-N 124.553 1.158 . . . . 0.0 111.02 179.991 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.69 135.58 38.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.566 0.803 . . . . 0.0 109.956 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.4 m -63.15 154.45 31.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.022 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.2 109.41 3.76 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.546 1.154 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -80.21 128.29 33.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 0.747 . . . . 0.0 109.942 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.6 t -104.72 109.31 21.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.971 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.41 -177.56 28.79 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.128 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.45 ' CD2' ' HG3' ' A' ' 67' ' ' LYS . 0.5 OUTLIER -65.61 -65.3 0.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 0.746 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 8' ' ' LEU . 11.8 ttp180 -38.33 -55.5 1.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 13' ' ' GLU . 0.4 OUTLIER -58.79 -49.72 76.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 8' ' ' LEU . . . -46.47 -46.1 18.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.598 HG11 ' HB3' ' A' ' 58' ' ' PRO . 49.4 t -60.18 -36.69 69.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.47 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 2.3 mt-10 -72.9 -39.36 66.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.334 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.34 -21.53 66.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 44.9 t80 -83.51 -66.76 0.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.945 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.428 ' CD1' ' HE1' ' A' ' 55' ' ' PHE . 6.6 m-85 -36.71 -37.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.953 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 78.6 m -64.04 -67.02 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 108.324 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -40.55 -33.85 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 62.6 m -65.89 -60.67 2.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 108.299 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.587 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 4.9 t80 -52.93 -36.47 59.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.63 ' O ' HG22 ' A' ' 26' ' ' THR . . . -71.76 -33.35 63.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -75.56 -26.55 58.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.759 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.87 -44.91 14.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.564 HD13 HG21 ' A' ' 30' ' ' VAL . 5.4 mt -57.66 -27.06 62.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.85 31.08 7.95 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.63 HG22 ' O ' ' A' ' 21' ' ' GLY . 9.0 t -110.14 168.4 9.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 0.756 . . . . 0.0 110.411 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.626 ' O ' HG22 ' A' ' 27' ' ' THR . 8.4 m -109.12 20.98 17.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.369 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.451 HG22 ' OG1' ' A' ' 26' ' ' THR . 14.8 m -133.34 -176.73 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 80.6 mtp -94.65 136.24 35.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.564 HG21 HD13 ' A' ' 24' ' ' LEU . 62.0 t -116.41 137.27 23.43 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 18.4 Cg_endo -74.97 105.69 2.13 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.535 1.808 . . . . 0.0 111.036 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.734 HG11 ' HZ ' ' A' ' 55' ' ' PHE . 55.7 t -51.62 114.48 5.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.587 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -75.0 81.43 2.21 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.462 1.769 . . . . 0.0 111.035 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.461 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 97.0 m-85 -57.6 -64.76 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 34' ' ' TYR . 2.2 tp10 -37.18 -39.06 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.473 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 15.0 mttm -71.13 -69.01 0.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.518 ' HE3' ' CE2' ' A' ' 78' ' ' PHE . 90.0 mtp -47.19 -38.37 11.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.7 mt -65.83 -48.51 71.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.247 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.9 mtt-85 -63.36 -50.18 70.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.338 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.57 124.81 30.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -97.51 17.22 18.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.3 26.86 5.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.961 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -116.84 -52.93 2.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.843 HG11 ' CD2' ' A' ' 78' ' ' PHE . 10.5 t -139.44 152.12 23.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.6 t -117.88 155.61 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.509 HG21 ' CB ' ' A' ' 55' ' ' PHE . 75.2 t -114.76 135.05 55.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -142.76 125.17 15.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.273 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.36 27.6 3.58 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.42 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 7.9 mt -99.41 165.1 15.39 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.499 0.764 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.654 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.2 Cg_endo -75.02 172.5 16.24 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.447 1.762 . . . . 0.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 1.012 ' O ' HG23 ' A' ' 53' ' ' VAL . 6.0 tt0 -64.56 144.16 57.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 41.78 46.01 4.79 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.466 1.104 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 1.012 HG23 ' O ' ' A' ' 51' ' ' GLU . 95.3 t -136.65 129.34 45.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 0.781 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.79 177.02 5.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.734 ' HZ ' HG11 ' A' ' 32' ' ' VAL . 34.2 t80 -89.6 15.15 9.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.983 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.482 ' HG3' ' CE1' ' A' ' 61' ' ' TYR . 8.6 pt20 -46.87 170.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.521 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.5 t-80 -50.58 147.1 8.52 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.617 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.68 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -74.98 -31.8 5.93 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.485 1.782 . . . . 0.0 111.033 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -49.17 -22.02 0.89 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -88.13 -49.68 6.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.68 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.6 m-30 -38.37 139.25 0.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 63' ' ' LEU . 4.8 m-20 -73.44 149.67 42.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 62' ' ' ASP . 19.1 tp -39.37 -43.14 1.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.89 -55.85 25.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 90.3 m -52.32 -52.08 55.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 110.407 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 44.7 mt -49.19 -53.06 23.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.45 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -63.88 -31.52 72.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.445 ' O ' ' N ' ' A' ' 71' ' ' GLU . 62.4 t90 -65.92 -60.84 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.516 ' CD1' ' CD2' ' A' ' 61' ' ' TYR . 40.1 mt -41.43 -52.95 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 109.312 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.03 -40.73 90.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 68' ' ' TRP . 0.2 OUTLIER -70.34 -10.77 59.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.336 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -142.6 42.67 1.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 11.9 pttp -82.27 -38.37 24.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.0 -29.39 43.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.96 -26.9 52.08 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.472 1.108 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.467 ' CD1' HG23 ' A' ' 69' ' ' ILE . 69.9 mt -72.59 123.1 26.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.757 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.0 m -140.46 141.06 35.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.967 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.843 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -97.14 112.72 24.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.955 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.457 ' N ' HD13 ' A' ' 79' ' ' ILE . 5.5 mm -85.1 91.21 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.611 HD13 HG22 ' A' ' 44' ' ' VAL . 0.7 OUTLIER -68.88 134.07 30.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -119.46 -47.73 2.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.7 ptt180 -163.82 156.15 15.1 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.295 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -178.32 4.09 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.502 1.791 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.473 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 47.6 m-85 -96.64 152.23 18.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -106.45 129.46 54.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 137.48 155.11 6.81 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -179.08 4.64 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.442 1.759 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -110.11 169.2 8.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 110.278 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.1 m -161.59 172.79 15.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.011 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 71.91 -63.38 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 93' ' ' GLY . 0.4 OUTLIER 63.68 81.54 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.262 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 65.1 -75.43 0.08 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.449 1.093 . . . . 0.0 110.988 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 91' ' ' LEU . . . 158.06 101.61 0.18 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.9 m -87.1 158.18 19.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 0.766 . . . . 0.0 110.02 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 174.5 99.03 0.12 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.565 1.166 . . . . 0.0 110.981 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 97.03 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.505 1.792 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 47.2 t -156.86 92.88 1.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.971 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.1 m -167.37 157.5 10.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.98 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.515 1.134 . . . . 0.0 111.027 -179.966 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.4 p -42.72 154.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 0.79 . . . . 0.0 110.014 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.7 p 178.62 -58.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 110.024 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.64 133.58 47.35 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.57 173.13 10.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 0.763 . . . . 0.0 110.019 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.3 m -103.39 127.77 50.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.042 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.83 -146.19 5.56 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.47 ' CD2' ' HG3' ' A' ' 67' ' ' LYS . 0.6 OUTLIER -62.45 -58.54 7.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 0.747 . . . . 0.0 109.271 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.1 mtm180 -40.25 -50.08 2.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.253 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 13' ' ' GLU . 5.7 mmtm -65.17 -52.37 55.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -42.93 -44.69 4.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.158 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.549 HG11 ' HB3' ' A' ' 58' ' ' PRO . 54.5 t -62.68 -42.83 97.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.474 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 1.7 mm-40 -68.07 -38.45 82.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.261 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' A' ' 14' ' ' ASP . 45.5 t0 -58.96 -32.9 70.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.422 ' O ' ' C ' ' A' ' 16' ' ' PHE . 58.8 t80 -74.81 -66.32 0.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.43 ' CE2' HG12 ' A' ' 12' ' ' VAL . 7.6 m-85 -36.35 -38.54 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 75.2 m -63.29 -61.18 2.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 108.325 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.49 -38.46 9.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.963 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 31.2 m -57.68 -65.95 0.55 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 108.31 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.613 ' O ' HD12 ' A' ' 24' ' ' LEU . 2.7 t80 -49.5 -36.96 24.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.517 ' O ' HG22 ' A' ' 26' ' ' THR . . . -71.41 -36.14 63.1 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.527 1.142 . . . . 0.0 110.956 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -73.14 -26.42 61.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.86 -46.07 13.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.613 HD12 ' O ' ' A' ' 20' ' ' TYR . 4.6 mt -57.79 -27.7 63.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.73 29.17 10.18 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.517 1.136 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.517 HG22 ' O ' ' A' ' 21' ' ' GLY . 7.7 t -105.83 170.35 7.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 110.4 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 43.9 m -110.74 13.9 22.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.141 . . . . 0.0 110.411 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.51 HG22 ' OG1' ' A' ' 26' ' ' THR . 16.2 m -124.88 -176.74 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 72.6 mtp -94.37 134.01 37.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.945 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.563 HG21 HD13 ' A' ' 24' ' ' LEU . 24.7 t -113.49 133.65 22.13 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 18.2 Cg_endo -75.01 99.69 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.518 1.799 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.816 HG11 ' CZ ' ' A' ' 55' ' ' PHE . 46.0 t -46.83 117.21 4.37 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.595 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.4 Cg_endo -74.99 84.2 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.464 1.77 . . . . 0.0 110.963 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.445 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 93.4 m-85 -61.25 -64.58 0.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -38.22 -39.03 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.445 ' HB3' ' CD2' ' A' ' 84' ' ' PHE . 18.5 mttm -67.66 -69.27 0.33 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 73.8 mtp -49.86 -46.19 51.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 16.3 mt -53.89 -45.05 70.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -68.5 -53.04 25.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 110.244 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -134.66 121.12 20.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -92.3 19.68 6.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.5 m -93.75 24.37 4.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 110.01 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -117.67 -52.31 2.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.72 HG11 ' CD2' ' A' ' 78' ' ' PHE . 5.2 t -135.7 153.18 32.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.1 t -120.28 142.0 38.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.526 HG21 ' CB ' ' A' ' 55' ' ' PHE . 71.8 t -101.82 137.7 28.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -144.13 129.02 18.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 110.346 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.16 32.15 3.58 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.412 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 6.8 mt -103.0 165.03 14.36 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.509 0.77 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.617 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.4 Cg_endo -74.99 170.01 21.37 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.504 1.792 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.596 ' O ' HG23 ' A' ' 53' ' ' VAL . 2.8 tt0 -66.6 137.7 56.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 110.261 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 50.82 46.08 48.85 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.617 HG11 ' HG2' ' A' ' 50' ' ' PRO . 77.9 t -140.23 129.09 26.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 0.0 109.282 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -98.03 171.7 8.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.816 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 28.9 t80 -84.22 12.32 6.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 111.049 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -47.62 163.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 110.306 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.455 ' ND1' ' OE1' ' A' ' 59' ' ' GLU . 1.7 t-80 -41.06 143.49 0.74 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.617 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.691 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -75.0 -28.63 9.01 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.48 1.779 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.455 ' OE1' ' ND1' ' A' ' 57' ' ' HIS . 9.9 pt-20 -49.91 -21.33 1.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 61' ' ' TYR . 54.0 m-80 -88.65 -48.26 7.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.691 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.9 m-30 -37.38 144.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.408 ' C ' ' N ' ' A' ' 64' ' ' ALA . 1.5 m-20 -77.84 148.05 34.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.8 tp -40.14 -32.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.408 ' N ' ' C ' ' A' ' 62' ' ' ASP . . . -70.6 -59.98 2.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 76.6 m -49.89 -49.66 48.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.384 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.416 ' CD2' HG21 ' A' ' 12' ' ' VAL . 47.1 mt -49.12 -53.46 20.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.47 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -66.71 -28.49 68.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.352 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 66.9 t90 -67.24 -60.27 2.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 108.051 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.85 HG23 ' CD1' ' A' ' 76' ' ' ILE . 58.5 mt -44.31 -50.53 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.0 mt -60.74 -43.73 97.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -18.57 65.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -137.51 46.86 2.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.237 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 76' ' ' ILE . 1.0 OUTLIER -80.4 -43.27 21.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.91 -22.55 2.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.8 -26.89 36.44 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.85 ' CD1' HG23 ' A' ' 69' ' ' ILE . 40.5 mt -72.28 124.32 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 109.255 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.0 m -142.31 137.2 30.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.965 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.72 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -93.83 102.88 15.01 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.456 HD13 ' N ' ' A' ' 79' ' ' ILE . 5.1 mm -81.48 89.65 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.689 ' CD1' HG22 ' A' ' 44' ' ' VAL . 1.2 mm -61.75 155.45 4.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -138.71 -47.64 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.83 156.83 19.94 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 110.274 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 175.63 10.99 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.455 1.766 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.445 ' CD2' ' HB3' ' A' ' 36' ' ' LYS . 26.4 m-85 -94.5 17.89 12.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.3 mt 69.5 103.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 121.0 155.92 9.67 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.5 1.125 . . . . 0.0 110.96 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 167.48 26.95 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.518 1.799 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -134.85 135.83 41.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 110.288 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.7 p 176.35 101.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.946 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -140.55 122.87 15.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.337 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.0 tt -111.51 145.62 38.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -134.69 -173.48 13.13 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.477 1.11 . . . . 0.0 111.017 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 116.8 103.52 2.31 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 11.5 t -172.08 77.56 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 0.77 . . . . 0.0 110.009 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -118.71 109.52 1.76 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.515 1.134 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -176.18 2.74 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.507 1.793 . . . . 0.0 111.024 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 20.4 p -166.25 157.63 13.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.021 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.87 152.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.993 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.0 p -88.67 97.59 11.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 0.757 . . . . 0.0 110.008 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m 45.43 94.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.013 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.77 90.96 0.15 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.32 105.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 0.0 110.015 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.51 148.75 23.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.989 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.41 ' O ' ' HB2' ' A' ' 11' ' ' ALA . . . -86.05 -156.52 27.86 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.442 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 0.5 OUTLIER -94.37 -66.64 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 8' ' ' LEU . 9.7 ttp180 -38.21 -54.06 1.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.338 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -59.97 -47.08 87.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 8' ' ' LEU . . . -48.18 -44.46 32.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.439 HG12 ' CE2' ' A' ' 16' ' ' PHE . 78.6 t -63.93 -38.5 82.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.473 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 1.8 mt-10 -70.79 -39.76 72.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -67.02 -19.99 65.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 33.1 t80 -85.34 -64.39 1.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 111.023 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.439 ' CE2' HG12 ' A' ' 12' ' ' VAL . 4.4 m-85 -37.23 -34.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 75.2 m -66.69 -66.28 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.416 1.072 . . . . 0.0 108.266 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -38.49 -32.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 111.039 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.9 m -67.55 -67.86 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 108.255 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.58 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 4.9 t80 -45.72 -33.46 3.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.415 ' O ' HG22 ' A' ' 26' ' ' THR . . . -74.53 -36.19 49.75 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -71.27 -25.03 62.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.7 -44.92 12.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.618 HD13 HG21 ' A' ' 30' ' ' VAL . 6.3 mt -57.94 -29.17 64.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.1 28.22 10.14 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.514 1.133 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.512 ' OG1' HG22 ' A' ' 28' ' ' VAL . 7.7 t -105.76 168.79 8.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 0.744 . . . . 0.0 110.371 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 36.0 p -110.06 16.83 21.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 110.413 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.512 HG22 ' OG1' ' A' ' 26' ' ' THR . 15.6 m -128.2 -173.02 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 71.5 mtp -97.91 133.12 42.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 111.039 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.618 HG21 HD13 ' A' ' 24' ' ' LEU . 43.9 t -111.64 135.08 21.12 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 18.2 Cg_endo -74.91 99.97 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.471 1.774 . . . . 0.0 110.984 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.796 HG11 ' CZ ' ' A' ' 55' ' ' PHE . 55.9 t -46.43 115.35 3.09 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.58 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -74.98 82.26 2.04 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.481 1.78 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.433 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 95.7 m-85 -58.12 -66.67 0.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 34' ' ' TYR . 2.6 tp10 -36.58 -41.45 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.354 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.462 ' HB3' ' CD2' ' A' ' 84' ' ' PHE . 59.1 mttt -66.85 -68.82 0.35 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.43 ' HE3' ' CE2' ' A' ' 78' ' ' PHE . 77.9 mtp -47.6 -44.24 26.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 111.05 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.0 mt -59.5 -44.39 93.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.331 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -53.2 35.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -132.57 124.29 28.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -95.34 19.26 11.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -96.58 27.82 3.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -119.62 -57.97 1.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.349 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.883 HG11 ' CD2' ' A' ' 78' ' ' PHE . 10.5 t -133.31 151.48 33.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.0 t -118.94 150.44 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.567 HG21 ' CB ' ' A' ' 55' ' ' PHE . 76.2 t -109.45 137.19 42.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.332 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -144.33 126.72 15.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.3 30.0 3.27 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.526 1.141 . . . . 0.0 110.971 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.417 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 8.3 mt -100.8 165.02 15.03 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.767 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.47 ' HG2' HG21 ' A' ' 53' ' ' VAL . 18.5 Cg_endo -74.97 161.9 38.08 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.5 1.79 . . . . 0.0 111.046 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -63.08 131.64 49.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.333 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 62.3 47.51 89.14 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.442 1.088 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.47 HG21 ' HG2' ' A' ' 50' ' ' PRO . 97.8 t -146.4 141.28 21.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 0.773 . . . . 0.0 109.255 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -109.7 175.21 5.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.796 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 39.8 t80 -86.31 15.33 5.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -50.3 164.22 0.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.467 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.6 t-80 -43.61 145.59 1.11 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.548 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.687 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.1 Cg_endo -75.02 -32.17 5.58 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.442 1.759 . . . . 0.0 110.956 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.59 -23.68 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 110.253 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 61' ' ' TYR . 47.6 m-80 -86.39 -49.39 7.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.687 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.2 m-30 -37.59 135.78 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.433 ' C ' ' N ' ' A' ' 64' ' ' ALA . 0.7 OUTLIER -70.24 146.46 50.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 62' ' ' ASP . 15.9 tp -39.49 -30.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 62' ' ' ASP . . . -72.59 -57.0 4.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 52.7 m -52.14 -48.3 64.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.115 . . . . 0.0 110.419 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 43.6 mt -50.14 -54.38 21.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -30.42 71.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.251 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 58.7 t90 -66.26 -57.28 7.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 107.994 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.818 HG23 ' CD1' ' A' ' 76' ' ' ILE . 80.4 mt -46.26 -52.04 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.439 ' CD1' HD23 ' A' ' 8' ' ' LEU . 70.9 mt -59.39 -42.51 91.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.9 -17.88 65.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -138.41 47.85 1.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 1.4 ptmm? -83.16 -44.15 15.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.17 -26.43 4.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.55 -29.54 43.55 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.818 ' CD1' HG23 ' A' ' 69' ' ' ILE . 66.4 mt -72.19 117.46 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.434 0.726 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.7 m -133.51 142.45 48.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.995 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.883 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -97.73 110.02 22.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 110.962 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.454 ' N ' HD13 ' A' ' 79' ' ' ILE . 5.3 mm -83.92 89.47 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.495 HD13 HG22 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -67.53 147.87 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -134.64 -51.61 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.9 ptt180 -156.73 156.03 29.34 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 176.07 10.41 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.518 1.799 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.462 ' CD2' ' HB3' ' A' ' 36' ' ' LYS . 23.3 m-85 -92.17 18.73 7.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 62.26 75.07 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -176.43 169.29 41.77 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 174.15 13.28 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.509 1.794 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.63 93.89 4.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.32 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.83 115.03 8.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.03 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -101.03 106.74 18.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.293 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.9 tp -93.72 103.26 15.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -102.56 79.91 0.35 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.485 1.115 . . . . 0.0 110.991 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -95.07 -174.35 37.68 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 60.5 m -148.11 157.02 43.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 109.981 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -134.82 151.93 20.56 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.46 1.1 . . . . 0.0 110.935 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 170.47 20.33 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.49 1.784 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.9 p -124.66 142.62 51.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.012 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.06 165.52 13.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 179.989 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.6 m -62.97 -59.18 5.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 109.956 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 t -177.19 83.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.982 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.57 89.88 0.1 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.47 1.107 . . . . 0.0 111.012 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.07 123.85 7.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 0.765 . . . . 0.0 109.996 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.5 m -116.44 109.12 16.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 110.006 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.52 -159.18 7.93 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.483 HD23 ' CD1' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -83.77 -63.29 1.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 0.753 . . . . 0.0 109.332 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.491 ' CD ' ' HA ' ' A' ' 59' ' ' GLU . 5.1 ttp180 -39.96 -32.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 110.306 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 13' ' ' GLU . 0.5 OUTLIER -83.39 -50.58 8.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -43.87 -51.42 7.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.569 HG11 ' HB3' ' A' ' 58' ' ' PRO . 57.2 t -52.42 -38.3 25.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.473 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 2.8 mt-10 -73.54 -37.17 65.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.4 -16.74 64.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.524 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 45.2 t80 -89.74 -64.47 1.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.424 ' CD1' ' HE1' ' A' ' 55' ' ' PHE . 6.2 m-85 -37.89 -42.52 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.138 . . . . 0.0 110.994 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 83.4 m -60.47 -58.53 8.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 108.275 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -47.47 -35.81 9.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 13.5 m -65.13 -62.92 1.26 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 108.304 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.587 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 5.0 t80 -49.15 -41.15 35.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.406 ' O ' HG22 ' A' ' 26' ' ' THR . . . -66.59 -41.06 94.25 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.476 1.11 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -67.1 -27.6 67.48 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.517 0.775 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.63 -44.75 15.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.579 HD13 HG21 ' A' ' 30' ' ' VAL . 5.8 mt -58.26 -27.31 63.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.65 23.08 19.52 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.115 . . . . 0.0 110.969 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.454 ' OG1' HG22 ' A' ' 28' ' ' VAL . 14.9 t -102.17 153.04 20.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 0.753 . . . . 0.0 110.429 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.488 ' O ' HG22 ' A' ' 27' ' ' THR . 74.7 m -93.96 23.76 4.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 110.392 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.454 HG22 ' OG1' ' A' ' 26' ' ' THR . 16.5 m -139.23 -179.45 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 76.7 mtp -91.67 137.05 32.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.579 HG21 HD13 ' A' ' 24' ' ' LEU . 59.8 t -115.27 139.01 23.95 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.471 ' HD2' HG13 ' A' ' 30' ' ' VAL . 18.3 Cg_endo -75.03 104.66 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.471 1.774 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.78 HG11 ' CZ ' ' A' ' 55' ' ' PHE . 54.3 t -50.98 116.31 7.08 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.587 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -74.99 78.51 2.87 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.532 1.806 . . . . 0.0 110.993 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.478 ' O ' ' C ' ' A' ' 35' ' ' GLU . 91.9 m-85 -55.13 -70.07 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' A' ' 34' ' ' TYR . 0.7 OUTLIER -32.69 -46.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.257 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 39' ' ' ARG . 30.7 mttt -62.95 -67.73 0.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 87.9 mtp -46.59 -35.97 6.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.8 mt -70.64 -33.72 71.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -74.92 -48.32 25.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -143.49 117.92 9.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -88.98 19.47 4.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.16 27.11 2.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.038 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -121.09 -59.82 1.69 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.891 HG11 ' CD2' ' A' ' 78' ' ' PHE . 4.7 t -126.53 151.2 32.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.348 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 64.0 t -121.35 141.72 40.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.532 HG21 ' CB ' ' A' ' 55' ' ' PHE . 74.3 t -100.64 138.85 23.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -146.07 127.17 14.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.3 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.26 32.04 3.11 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.132 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.42 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 8.7 mt -102.78 165.13 14.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.477 0.751 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.659 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.4 Cg_endo -75.02 168.59 24.49 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.499 1.789 . . . . 0.0 110.972 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.779 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -63.19 142.54 58.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 45.52 46.23 12.17 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 51' ' ' GLU . 71.2 t -137.93 134.18 45.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.758 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -103.76 172.88 6.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 109.259 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.78 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 32.6 t80 -86.02 13.97 6.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 57' ' ' HIS . 13.3 pt20 -48.18 159.8 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.462 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.6 t-80 -39.45 145.44 0.42 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.602 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.696 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.1 Cg_endo -75.04 -31.07 6.46 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.497 1.788 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.491 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 1.4 pp20? -47.83 -23.04 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 110.291 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 61' ' ' TYR . 46.6 m-80 -86.34 -50.0 7.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.696 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.7 m-30 -37.16 143.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 63' ' ' LEU . 0.6 OUTLIER -78.17 150.51 33.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 62' ' ' ASP . 3.7 tp -39.99 -38.63 0.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.433 1.083 . . . . 0.0 109.268 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.35 -54.51 19.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 88.3 m -54.53 -49.15 70.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 110.428 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 46.6 mt -51.3 -52.75 42.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.96 -28.8 68.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.271 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 55.2 t90 -66.07 -58.01 6.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 108.029 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.828 HG23 ' CD1' ' A' ' 76' ' ' ILE . 72.8 mt -46.73 -51.07 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.483 ' CD1' HD23 ' A' ' 8' ' ' LEU . 89.3 mt -59.07 -43.73 91.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.81 -18.05 65.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -135.19 45.18 2.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 1.5 ptmm? -83.32 -41.22 18.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.24 -26.2 6.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.318 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -83.36 -27.66 39.02 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.462 1.101 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.828 ' CD1' HG23 ' A' ' 69' ' ' ILE . 66.2 mt -72.27 123.33 26.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.4 m -141.1 139.05 33.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.976 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.891 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -95.4 104.85 16.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.972 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.522 HD13 ' N ' ' A' ' 79' ' ' ILE . 4.1 mm -80.38 92.19 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.489 HD13 ' HA ' ' A' ' 80' ' ' ILE . 0.4 OUTLIER -69.14 151.43 10.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -137.69 -47.38 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -159.52 156.91 26.09 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 176.34 10.05 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.53 1.805 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.407 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 10.0 m-85 -92.73 16.41 12.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.1 mp 66.8 97.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 149.04 165.18 12.07 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.519 1.137 . . . . 0.0 110.964 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 179.24 6.28 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.493 1.786 . . . . 0.0 110.96 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -133.92 113.72 12.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.326 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.89 160.16 8.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.993 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -162.64 117.12 1.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.267 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.5 tp -127.07 130.34 49.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -136.92 93.92 0.22 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.556 1.16 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -122.56 150.13 16.92 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.0 151.44 0.25 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 0.778 . . . . 0.0 110.016 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -137.34 155.51 22.96 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.453 1.095 . . . . 0.0 110.984 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -175.9 2.61 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.518 1.799 . . . . 0.0 111.002 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.48 -56.33 3.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.021 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.24 153.17 0.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.0 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.974 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.91 141.94 25.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 0.738 . . . . 0.0 109.996 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.44 110.8 19.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.969 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.17 -149.33 7.18 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.551 1.157 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.8 p -138.81 82.13 1.88 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 0.735 . . . . 0.0 110.05 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.87 84.95 7.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 109.996 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.47 -69.8 0.17 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.477 1.111 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.447 HD23 ' CD1' ' A' ' 70' ' ' LEU . 0.4 OUTLIER -63.69 -66.59 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 0.0 109.311 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.409 ' HD2' ' CB ' ' A' ' 59' ' ' GLU . 8.9 ttp180 -38.08 -52.1 1.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.294 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 39.0 mmtt -57.61 -53.36 59.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -45.68 -44.54 13.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.548 HG12 ' CE2' ' A' ' 16' ' ' PHE . 91.4 t -61.72 -43.21 96.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.072 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.474 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 1.7 mt-10 -67.06 -43.04 83.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -58.82 -34.59 71.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 73' ' ' LYS . 69.1 t80 -71.04 -64.69 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.548 ' CE2' HG12 ' A' ' 12' ' ' VAL . 6.2 m-85 -36.02 -37.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 79.4 m -64.49 -63.28 1.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 108.309 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -41.42 -38.17 1.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.408 ' O ' ' N ' ' A' ' 22' ' ' LYS . 20.9 m -62.12 -69.16 0.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 108.278 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.587 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 5.0 t80 -41.71 -44.05 3.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.424 ' HA2' HG21 ' A' ' 30' ' ' VAL . . . -62.61 -40.14 98.77 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.436 1.085 . . . . 0.0 111.028 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 19' ' ' CYS . 9.1 mttt -68.38 -24.02 64.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 0.74 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.3 -48.69 10.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.541 HD11 ' CD2' ' A' ' 20' ' ' TYR . 2.3 mt -57.63 -30.6 65.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.61 -15.91 10.51 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.538 ' OG1' HG22 ' A' ' 28' ' ' VAL . 8.8 t -77.75 174.3 11.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 0.75 . . . . 0.0 110.38 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 88.7 m -121.64 2.72 10.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.401 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.538 HG22 ' OG1' ' A' ' 26' ' ' THR . 35.1 m -91.45 -169.73 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.6 mtm -100.9 109.1 21.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 110.98 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.498 HG11 ' CD1' ' A' ' 24' ' ' LEU . 10.7 t -91.65 135.72 27.4 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 32' ' ' VAL . 18.3 Cg_endo -74.97 91.2 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.533 1.807 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.846 HG11 ' HZ ' ' A' ' 55' ' ' PHE . 51.7 t -39.9 115.51 1.09 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.587 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -74.99 84.23 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.559 1.82 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.492 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 81.5 m-85 -60.51 -63.51 1.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.96 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -37.77 -39.07 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.334 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.56 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 14.8 mttm -69.6 -68.79 0.38 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.532 ' CE ' ' CZ ' ' A' ' 78' ' ' PHE . 70.1 mtp -48.81 -45.17 39.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.978 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 26.5 mt -56.92 -49.13 76.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -63.72 -51.74 63.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.334 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -135.9 124.33 23.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -94.3 17.71 12.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.262 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.15 28.57 2.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.01 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -121.77 -55.81 1.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.779 HG11 ' CD2' ' A' ' 78' ' ' PHE . 13.1 t -131.07 146.14 34.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.0 t -112.28 152.07 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.477 HG21 ' CB ' ' A' ' 55' ' ' PHE . 77.0 t -113.41 135.71 52.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -143.34 127.28 17.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 110.308 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.77 32.77 2.8 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 0.0 110.953 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 49' ' ' LEU . 7.0 mt -103.76 165.28 13.76 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.528 0.781 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.609 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.2 Cg_endo -75.03 168.9 23.8 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.501 1.79 . . . . 0.0 110.935 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.58 ' O ' HG23 ' A' ' 53' ' ' VAL . 2.1 tt0 -66.27 136.99 56.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 52.23 45.69 57.54 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.126 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.609 HG11 ' HG2' ' A' ' 50' ' ' PRO . 70.3 t -140.75 130.8 27.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.555 0.797 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -98.39 173.75 6.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.846 ' HZ ' HG11 ' A' ' 32' ' ' VAL . 29.3 t80 -85.46 13.85 6.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -47.04 167.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.4 ' ND1' ' HD2' ' A' ' 58' ' ' PRO . 1.7 t-80 -47.27 143.0 5.36 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.613 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.669 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -75.02 -26.37 10.95 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.409 ' CB ' ' HD2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -52.81 -19.43 2.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 0.0 110.31 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 61' ' ' TYR . 17.0 m-80 -91.87 -47.89 7.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.669 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 17.9 m-30 -35.85 143.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 63' ' ' LEU . 1.2 m-20 -78.29 151.5 32.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.373 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 62' ' ' ASP . 11.3 tp -39.61 -46.12 1.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 68' ' ' TRP . . . -60.02 -57.06 14.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 87.2 m -50.96 -53.06 36.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.365 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 46.0 mt -48.07 -52.51 19.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.268 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.446 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -68.17 -28.71 67.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.443 ' N ' ' O ' ' A' ' 64' ' ' ALA . 56.4 t90 -65.55 -57.89 7.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 108.052 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.735 HG23 ' CD1' ' A' ' 76' ' ' ILE . 50.9 mt -47.26 -47.14 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.447 ' CD1' HD23 ' A' ' 8' ' ' LEU . 84.3 mt -64.16 -40.47 96.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.59 -13.93 62.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -141.03 43.74 1.8 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.572 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . 12.8 pttp -80.91 -42.14 21.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.6 -23.5 2.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -86.39 -25.44 36.32 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.735 ' CD1' HG23 ' A' ' 69' ' ' ILE . 39.7 mt -71.99 121.69 22.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 0.774 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.9 m -141.53 136.73 31.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.988 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.779 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -91.8 106.03 18.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 111.01 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.44 ' N ' HD13 ' A' ' 79' ' ' ILE . 5.7 mm -84.01 95.56 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.729 ' CD1' HG22 ' A' ' 44' ' ' VAL . 1.6 mm -69.61 154.97 7.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -137.28 -48.0 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.98 156.65 15.24 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 177.11 9.04 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.502 1.79 . . . . 0.0 110.978 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.56 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 52.1 m-85 -93.56 163.22 13.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 111.007 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.6 mp -95.84 123.19 39.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 166.65 160.9 14.56 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.528 1.142 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 175.74 10.81 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.504 1.791 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -132.47 169.57 16.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.7 106.38 0.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.015 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -121.98 89.75 3.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 110.289 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.26 139.05 53.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 174.46 175.34 41.94 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 110.51 159.6 16.96 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.46 134.62 1.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 109.972 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -113.29 96.85 0.83 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.115 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -177.77 3.7 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.509 1.794 . . . . 0.0 111.039 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.5 p -166.65 159.36 14.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.945 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 35.3 t -165.38 -59.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.983 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.457 1.098 . . . . 0.0 110.97 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 m -161.27 127.77 3.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.756 . . . . 0.0 109.989 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 m -52.27 149.29 5.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.983 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.15 113.67 1.29 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.497 1.123 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.88 154.65 36.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 0.767 . . . . 0.0 110.034 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.14 140.43 6.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.043 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.04 -177.86 33.71 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.472 HD22 ' HD2' ' A' ' 67' ' ' LYS . 0.5 OUTLIER -65.08 -67.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 0.772 . . . . 0.0 109.314 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 8' ' ' LEU . 2.3 ttm180 -38.57 -40.72 0.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 13' ' ' GLU . 24.6 tptt -75.25 -49.17 20.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.098 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -42.59 -52.89 4.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.525 HG12 ' CE2' ' A' ' 16' ' ' PHE . 47.9 t -53.43 -41.27 44.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.469 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 2.6 mt-10 -69.58 -36.73 76.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.426 ' O ' ' HE3' ' A' ' 29' ' ' MET . 9.8 t70 -66.83 -23.02 65.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 42.5 t80 -84.65 -63.78 1.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.525 ' CE2' HG12 ' A' ' 12' ' ' VAL . 5.9 m-85 -36.19 -38.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.977 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 71.7 m -60.26 -64.51 0.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 108.286 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -41.84 -37.68 1.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.3 m -62.94 -63.59 1.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 108.284 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.57 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 4.9 t80 -47.59 -32.84 5.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.83 -37.68 50.67 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.558 1.161 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -67.99 -23.72 65.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 0.735 . . . . 0.0 109.266 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.788 ' HB1' ' HB ' ' A' ' 80' ' ' ILE . . . -88.15 -45.38 10.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.633 HD13 HG21 ' A' ' 30' ' ' VAL . 6.0 mt -57.58 -25.21 59.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.09 28.06 19.08 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.446 1.091 . . . . 0.0 110.958 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.453 ' OG1' HG22 ' A' ' 28' ' ' VAL . 7.9 t -104.83 172.83 6.58 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.51 0.771 . . . . 0.0 110.385 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.595 ' O ' HG22 ' A' ' 27' ' ' THR . 18.2 m -113.84 19.18 16.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.385 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.453 HG22 ' OG1' ' A' ' 26' ' ' THR . 18.5 m -132.17 -175.98 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.247 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.426 ' HE3' ' O ' ' A' ' 14' ' ' ASP . 79.2 mtp -95.65 130.25 42.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 110.979 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.633 HG21 HD13 ' A' ' 24' ' ' LEU . 52.7 t -111.02 134.45 21.01 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 18.2 Cg_endo -74.99 107.88 2.59 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.546 1.814 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.724 HG11 ' CZ ' ' A' ' 55' ' ' PHE . 48.4 t -50.79 114.67 4.93 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.57 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -75.02 77.93 3.02 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.774 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.541 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 92.8 m-85 -56.81 -61.97 2.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 34' ' ' TYR . 1.8 tp10 -37.54 -34.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -77.98 -69.13 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.597 1.185 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 14.1 mmm -47.47 -48.65 26.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 110.962 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 38' ' ' LEU . 14.9 mt -49.66 -37.05 26.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.0 mtt180 -76.59 -49.37 16.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -137.3 117.76 13.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.578 1.174 . . . . 0.0 109.253 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -88.92 20.27 3.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.59 25.77 3.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.138 . . . . 0.0 109.959 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -113.76 -57.63 2.26 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.847 HG11 ' CD2' ' A' ' 78' ' ' PHE . 14.1 t -129.43 149.54 33.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.3 t -112.14 147.31 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.572 HG21 ' CB ' ' A' ' 55' ' ' PHE . 76.8 t -108.93 135.52 47.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.256 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -144.12 128.06 17.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.72 30.83 3.61 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.127 . . . . 0.0 111.008 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 49' ' ' LEU . 8.5 mt -101.29 164.93 15.04 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.474 0.75 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.504 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.4 Cg_endo -74.95 157.79 42.77 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.458 1.768 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -58.1 131.54 50.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.272 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 59.37 50.23 70.0 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.534 1.146 . . . . 0.0 111.033 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.504 HG11 ' HG2' ' A' ' 50' ' ' PRO . 92.4 t -147.76 127.61 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.444 0.732 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -95.52 175.25 6.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.724 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 31.1 t80 -87.9 14.61 8.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 111.049 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -48.17 161.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.283 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.414 ' ND1' ' HD2' ' A' ' 58' ' ' PRO . 1.7 t-80 -40.63 143.25 0.7 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.624 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.696 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -74.97 -27.57 9.96 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.496 1.787 . . . . 0.0 110.96 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -20.37 2.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.259 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 61' ' ' TYR . 48.8 m-80 -89.24 -48.72 7.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.696 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.8 m-30 -36.89 144.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.949 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 63' ' ' LEU . 6.6 m-20 -78.86 151.82 31.61 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.433 1.083 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 62' ' ' ASP . 3.7 tp -39.74 -41.31 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.097 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.2 -62.06 1.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.36 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 83.6 m -46.61 -50.01 18.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 110.375 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 46.1 mt -51.03 -57.26 9.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.472 ' HD2' HD22 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -62.94 -29.8 71.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.16 . . . . 0.0 109.269 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.414 ' O ' ' N ' ' A' ' 71' ' ' GLU . 64.6 t90 -66.28 -59.81 3.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 108.005 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.516 HD11 ' CE2' ' A' ' 61' ' ' TYR . 42.1 mt -41.62 -54.57 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 42.5 mt -59.0 -41.53 87.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 68' ' ' TRP . 0.1 OUTLIER -69.62 -11.35 60.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 110.261 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -143.84 46.32 1.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 9.7 pttp -86.4 -40.38 15.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.47 -27.65 4.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -83.93 -26.62 40.66 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.503 1.127 . . . . 0.0 110.962 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.479 HD12 HG23 ' A' ' 69' ' ' ILE . 57.9 mt -72.37 124.47 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 0.779 . . . . 0.0 109.308 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.7 m -140.5 138.27 34.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.959 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.847 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -94.4 102.44 14.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.425 ' N ' HD13 ' A' ' 79' ' ' ILE . 5.9 mm -80.27 87.69 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.788 ' HB ' ' HB1' ' A' ' 23' ' ' ALA . 0.3 OUTLIER -60.95 129.89 24.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.272 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -111.25 -43.22 3.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.233 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.76 156.41 5.01 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -174.93 2.12 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.469 1.773 . . . . 0.0 110.984 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.5 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 18.8 m-85 -102.22 165.63 11.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 16.4 mt -50.17 151.37 2.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -46.77 157.25 0.53 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 143.56 29.36 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.511 1.795 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -178.98 97.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.69 168.06 0.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.038 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -175.89 139.37 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.0 tp -139.59 162.76 34.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -166.34 87.61 0.1 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.485 1.116 . . . . 0.0 111.049 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 151.84 115.77 0.67 Allowed Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.22 161.82 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 0.741 . . . . 0.0 109.978 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 133.0 95.84 0.59 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.526 1.141 . . . . 0.0 110.958 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -178.68 4.34 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.433 1.754 . . . . 0.0 111.017 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 59.9 p -166.69 122.67 1.19 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 56.66 166.35 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.0 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.554 1.159 . . . . 0.0 110.987 179.996 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.79 144.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 0.75 . . . . 0.0 109.963 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.92 -58.74 0.35 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 110.001 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.16 143.44 6.0 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.507 1.129 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.04 145.08 2.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 110.046 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.8 p -149.07 126.42 11.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.006 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.46 155.19 26.45 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.439 ' CD2' ' HG3' ' A' ' 67' ' ' LYS . 0.6 OUTLIER -68.03 -65.49 0.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 0.733 . . . . 0.0 109.333 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 8' ' ' LEU . 5.1 mtm180 -38.67 -43.78 0.93 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -72.84 -52.46 14.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -43.33 -48.6 6.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.501 HG11 ' HB3' ' A' ' 58' ' ' PRO . 63.7 t -58.28 -40.85 79.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.475 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 2.6 mt-10 -69.17 -40.76 77.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.327 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -61.92 -29.96 70.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.517 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 44.2 t80 -75.39 -66.04 0.82 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.433 ' CD1' ' HE1' ' A' ' 55' ' ' PHE . 6.1 m-85 -36.03 -39.73 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 98.5 m -61.45 -57.95 10.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 108.315 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.437 ' N ' ' O ' ' A' ' 15' ' ' TYR . 1.9 t80 -47.76 -36.06 10.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 0.0 111.064 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.5 m -64.81 -64.57 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 108.263 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.581 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 4.9 t80 -46.99 -40.96 15.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.967 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.48 -40.42 94.33 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 110.989 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.8 mtpt -66.44 -25.08 66.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 0.776 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.58 -43.29 13.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.578 1.174 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.572 HD11 ' CD2' ' A' ' 20' ' ' TYR . 4.5 mt -62.27 -27.51 69.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.43 34.75 6.51 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.594 ' OG1' HG22 ' A' ' 28' ' ' VAL . 9.4 t -112.35 158.86 19.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 0.762 . . . . 0.0 110.397 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 28.8 p -100.53 17.53 21.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.372 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.594 HG22 ' OG1' ' A' ' 26' ' ' THR . 27.5 m -128.57 -173.48 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 6.1 mtm -99.12 130.93 45.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.514 HG21 HD13 ' A' ' 24' ' ' LEU . 25.9 t -109.42 133.11 20.93 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 18.4 Cg_endo -75.02 100.0 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.499 1.789 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.743 HG11 ' CZ ' ' A' ' 55' ' ' PHE . 55.7 t -44.41 116.0 2.45 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.581 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -74.93 80.94 2.3 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.511 1.795 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.501 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 96.8 m-85 -59.51 -62.37 1.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 34' ' ' TYR . 4.6 tt0 -37.32 -35.38 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.0 mttm -76.24 -69.43 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 18.9 mmm -47.05 -45.22 21.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 38' ' ' LEU . 14.0 mt -53.65 -40.0 65.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -73.71 -51.68 15.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -131.69 118.38 19.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -92.38 17.89 9.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.7 m -95.41 26.91 3.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.011 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -113.54 -63.7 1.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.912 HG11 ' CD2' ' A' ' 78' ' ' PHE . 7.2 t -123.73 143.46 36.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.8 t -106.66 145.89 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.564 HG21 ' CB ' ' A' ' 55' ' ' PHE . 70.9 t -107.85 135.18 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -143.18 127.55 17.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 110.337 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.4 27.97 4.24 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.11 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.417 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 8.4 mt -99.62 165.3 14.95 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.62 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.3 Cg_endo -75.02 175.09 11.7 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.519 1.8 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 1.028 ' O ' HG23 ' A' ' 53' ' ' VAL . 7.4 tt0 -66.51 146.06 54.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 110.31 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 40.28 45.98 3.34 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.462 1.101 . . . . 0.0 111.02 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 1.028 HG23 ' O ' ' A' ' 51' ' ' GLU . 88.2 t -136.47 132.55 48.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.765 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -102.33 177.68 4.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.743 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 37.7 t80 -89.58 14.46 11.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -48.7 162.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.447 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 1.7 t-80 -42.44 145.02 0.87 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.584 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.699 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -75.05 -29.12 8.49 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.482 1.78 . . . . 0.0 110.99 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.93 -20.92 1.49 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -88.6 -49.32 6.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.699 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.6 m-30 -37.66 140.77 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.422 ' C ' ' N ' ' A' ' 64' ' ' ALA . 2.1 m-20 -73.47 146.36 45.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.1 tp -39.91 -31.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.422 ' N ' ' C ' ' A' ' 62' ' ' ASP . . . -71.18 -56.57 5.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 51.6 m -52.88 -50.6 63.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.405 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 40.7 mt -47.46 -51.27 20.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.439 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -66.18 -34.12 77.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 57.5 t90 -62.58 -57.3 11.58 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.52 ' CD1' ' CE2' ' A' ' 61' ' ' TYR . 44.1 mt -44.61 -53.84 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.419 ' CD1' HD23 ' A' ' 8' ' ' LEU . 52.9 mt -59.66 -40.57 88.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.36 -12.25 61.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.339 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -142.68 45.39 1.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.517 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 11.5 pttp -84.18 -42.94 15.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.98 -25.34 4.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.02 -26.85 39.41 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.457 ' CD1' HG23 ' A' ' 69' ' ' ILE . 71.2 mt -72.89 124.33 29.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.5 p -138.56 139.52 38.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.002 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.912 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -95.36 102.42 14.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 111.007 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.417 ' N ' HD13 ' A' ' 79' ' ' ILE . 6.0 mm -80.94 88.87 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.533 ' CD1' HG22 ' A' ' 44' ' ' VAL . 0.4 OUTLIER -60.35 137.45 22.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -121.04 -49.67 2.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.17 155.81 15.98 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 178.61 7.03 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.494 1.786 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.472 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 53.5 m-85 -93.16 164.01 13.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.6 mt -99.94 121.18 40.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 126.13 163.32 11.51 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 168.19 25.38 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.542 1.812 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -116.79 91.33 3.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.338 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.18 -62.7 0.46 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.119 . . . . 0.0 110.021 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 50.4 80.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 64.09 171.81 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -116.05 -89.39 1.53 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.449 1.093 . . . . 0.0 111.027 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -171.13 158.85 30.53 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 79.0 p -116.7 163.94 15.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 0.768 . . . . 0.0 109.978 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 173.71 111.83 0.27 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.551 1.157 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -51.86 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.49 1.784 . . . . 0.0 110.967 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.9 121.85 8.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.977 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.7 m -67.54 133.96 50.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.001 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.483 1.114 . . . . 0.0 110.986 -180.0 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m 72.0 -59.66 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.754 . . . . 0.0 110.027 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.4 p 59.43 114.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.017 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.95 -133.81 3.82 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.46 1.1 . . . . 0.0 110.976 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.57 98.17 0.79 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 0.78 . . . . 0.0 109.984 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -175.28 109.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.034 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.486 ' O ' ' HB2' ' A' ' 11' ' ' ALA . . . 129.61 164.31 11.38 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.492 1.12 . . . . 0.0 111.039 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.455 ' CD2' ' HG3' ' A' ' 67' ' ' LYS . 0.4 OUTLIER -95.36 -70.32 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.747 . . . . 0.0 109.266 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.472 ' CD ' ' HA ' ' A' ' 59' ' ' GLU . 9.5 ttm180 -38.6 -43.59 0.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.293 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 11' ' ' ALA . 0.5 OUTLIER -69.53 -55.1 11.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 7' ' ' GLY . . . -39.76 -49.27 2.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.562 HG11 ' HB3' ' A' ' 58' ' ' PRO . 21.2 t -49.57 -56.61 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.247 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.466 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 3.3 mt-10 -53.39 -34.16 56.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.237 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.09 -16.32 61.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 1.002 ' OH ' HG21 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -91.44 -54.46 3.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.118 . . . . 0.0 111.015 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.599 ' N ' ' CG ' ' A' ' 15' ' ' TYR . 3.6 m-85 -45.85 -24.68 0.42 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 95.0 m -74.5 -57.64 3.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 108.304 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -40.11 -36.83 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.75 -67.0 0.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 108.322 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.663 ' O ' HD12 ' A' ' 24' ' ' LEU . 3.1 t80 -47.31 -36.32 9.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.524 ' O ' HG22 ' A' ' 26' ' ' THR . . . -71.88 -37.76 60.7 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -71.83 -26.19 62.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 0.752 . . . . 0.0 109.256 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.6 -46.77 12.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.787 HD13 HG21 ' A' ' 30' ' ' VAL . 4.1 mt -57.65 -20.12 31.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.71 29.05 40.39 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.443 1.089 . . . . 0.0 110.969 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.524 HG22 ' O ' ' A' ' 21' ' ' GLY . 2.4 t -100.12 177.78 4.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.777 . . . . 0.0 110.449 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.45 ' N ' ' OG1' ' A' ' 26' ' ' THR . 24.5 p -116.79 21.64 13.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.404 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.417 HG22 ' OG1' ' A' ' 26' ' ' THR . 12.3 m -137.88 -173.43 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.351 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 5.6 mtm -100.43 130.86 46.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 111.012 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.787 HG21 HD13 ' A' ' 24' ' ' LEU . 96.2 t -109.67 137.47 20.39 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.48 ' HD2' HG13 ' A' ' 30' ' ' VAL . 18.2 Cg_endo -74.96 104.6 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.776 HG11 ' CZ ' ' A' ' 55' ' ' PHE . 55.1 t -48.03 118.14 6.14 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.59 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -74.99 84.51 1.65 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.45 1.763 . . . . 0.0 111.035 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.415 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 96.2 m-85 -61.19 -62.8 1.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 111.001 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.54 -35.28 0.18 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.562 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 14.4 mttt -75.18 -67.68 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.47 ' HE3' ' HB ' ' A' ' 44' ' ' VAL . 92.6 mtp -48.31 -36.13 13.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.929 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.8 mt -70.53 -39.34 74.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -72.77 -51.64 18.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 110.305 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.68 113.88 17.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.355 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -90.1 17.29 7.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 110.269 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.6 m -104.88 23.81 12.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -109.02 -67.41 0.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.881 HG11 ' CD2' ' A' ' 78' ' ' PHE . 4.6 t -119.08 144.27 27.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.2 t -111.49 143.16 21.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.547 HG21 ' CB ' ' A' ' 55' ' ' PHE . 72.5 t -104.16 137.3 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -143.6 125.56 15.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.11 31.87 2.75 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.455 1.097 . . . . 0.0 111.024 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.42 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 9.6 mt -102.34 165.27 14.12 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 109.286 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.655 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.3 Cg_endo -75.05 170.05 21.26 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.539 1.81 . . . . 0.0 110.992 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.966 ' O ' HG23 ' A' ' 53' ' ' VAL . 2.8 tt0 -63.08 143.36 57.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.337 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 43.8 44.81 7.17 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.966 HG23 ' O ' ' A' ' 51' ' ' GLU . 80.0 t -136.71 133.51 48.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 0.755 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -103.42 -179.85 4.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.776 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 41.9 t80 -92.09 14.9 14.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.427 ' HG3' ' CE1' ' A' ' 61' ' ' TYR . 8.8 pt20 -48.52 174.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.456 ' ND1' ' OE1' ' A' ' 59' ' ' GLU . 1.7 t-80 -52.51 144.73 22.91 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.593 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.701 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -75.05 -26.86 10.44 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.523 1.801 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.472 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 9.0 pt-20 -53.28 -18.91 2.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.268 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -90.55 -50.33 6.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.107 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.701 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 21.7 m-30 -38.42 145.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 63' ' ' LEU . 3.2 m-20 -78.75 146.53 33.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 62' ' ' ASP . 10.3 tp -39.56 -34.24 0.22 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.24 -57.81 5.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 48.3 m -51.29 -51.53 53.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.395 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 33.8 mt -46.72 -51.68 15.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.455 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -65.96 -33.39 75.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.419 ' O ' ' N ' ' A' ' 72' ' ' ASN . 60.9 t90 -63.36 -59.52 4.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 107.976 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.476 ' O ' ' N ' ' A' ' 73' ' ' LYS . 37.1 mt -45.88 -51.11 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.414 HD12 HD23 ' A' ' 8' ' ' LEU . 86.5 mt -59.18 -42.01 89.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.34 -13.89 61.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.297 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 68' ' ' TRP . 5.2 m-80 -134.76 41.07 2.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 69' ' ' ILE . 8.1 pttp -86.23 -29.67 22.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.98 -30.94 70.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -83.33 -21.7 58.1 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 1.002 HG21 ' OH ' ' A' ' 15' ' ' TYR . 65.3 mt -72.91 128.38 35.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.4 p -143.49 140.97 30.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.043 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.881 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -95.74 102.13 13.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.434 HD13 ' N ' ' A' ' 79' ' ' ILE . 5.8 mm -81.55 93.36 2.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.719 ' CD1' HG22 ' A' ' 44' ' ' VAL . 1.0 OUTLIER -66.52 147.17 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -127.57 -50.61 1.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.1 156.08 25.54 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.272 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 175.55 11.1 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.494 1.786 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.562 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 82.3 m-85 -93.32 170.61 9.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.4 pp -136.4 107.07 6.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.342 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -179.71 158.56 22.39 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 179.85 5.69 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.457 1.767 . . . . 0.0 111.018 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -145.94 116.08 7.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.09 . . . . 0.0 110.324 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.09 157.96 2.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -161.93 134.13 5.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.339 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 28.8 tp -151.01 127.94 11.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -100.19 147.31 18.06 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.543 1.152 . . . . 0.0 111.029 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -171.83 156.05 25.04 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.1 m -179.42 167.86 1.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 0.795 . . . . 0.0 110.035 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -160.37 148.73 17.39 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 132.07 15.01 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.45 1.763 . . . . 0.0 110.984 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.9 m -109.25 163.88 12.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.016 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.81 164.44 12.03 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.535 1.147 . . . . 0.0 109.996 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 O-C-N 124.482 1.114 . . . . 0.0 110.982 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.4 p -102.83 -58.8 1.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 110.003 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.0 t -53.63 130.05 34.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.995 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.23 149.0 5.1 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.547 1.154 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.0 p -176.03 149.32 0.89 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 0.773 . . . . 0.0 109.954 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.1 p -150.83 -67.36 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.979 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.534 ' O ' ' HB2' ' A' ' 11' ' ' ALA . . . 145.76 -157.34 27.33 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.534 1.146 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.482 HD23 ' CD1' ' A' ' 70' ' ' LEU . 0.4 OUTLIER -92.1 -66.1 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 0.745 . . . . 0.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 8' ' ' LEU . 3.3 mtm180 -37.45 -50.72 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -65.46 -52.01 56.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' A' ' 7' ' ' GLY . . . -40.18 -48.05 2.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.544 HG12 ' CE2' ' A' ' 16' ' ' PHE . 74.4 t -60.69 -48.45 88.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.47 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 10.0 mm-40 -61.65 -26.07 67.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.68 -26.38 50.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 22.8 t80 -81.79 -60.51 2.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.544 ' CE2' HG12 ' A' ' 12' ' ' VAL . 4.7 m-85 -37.62 -36.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 111.019 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 99.6 m -66.83 -66.09 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 108.263 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -39.14 -35.35 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.2 m -67.16 -60.45 2.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 108.314 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.625 ' O ' HD12 ' A' ' 24' ' ' LEU . 3.8 t80 -49.49 -37.46 26.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 111.028 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.06 -39.16 84.47 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.89 -23.0 65.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 0.803 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.99 -49.87 7.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.625 HD12 ' O ' ' A' ' 20' ' ' TYR . 2.3 mt -57.66 -31.38 66.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.08 -6.95 43.63 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.665 HG21 ' CG2' ' A' ' 30' ' ' VAL . 1.3 t -66.0 159.93 24.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 110.4 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.51 ' O ' HG22 ' A' ' 27' ' ' THR . 18.7 m -103.06 10.67 37.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.383 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.5 m -126.83 178.83 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 37.7 mtp -82.2 140.02 33.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 111.043 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.665 ' CG2' HG21 ' A' ' 26' ' ' THR . 20.6 t -118.16 130.93 24.43 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 101.17 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.489 1.784 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.796 HG11 ' CZ ' ' A' ' 55' ' ' PHE . 52.7 t -44.77 118.51 3.48 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.57 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -75.0 71.57 4.95 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.499 1.789 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.504 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 96.6 m-85 -48.9 -64.62 0.75 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 34' ' ' TYR . 2.7 tt0 -38.05 -37.81 0.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.561 ' HB3' ' CE2' ' A' ' 84' ' ' PHE . 45.0 mttt -72.95 -69.29 0.42 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.571 ' HE3' ' CE2' ' A' ' 78' ' ' PHE . 83.2 mtp -45.64 -37.74 5.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 22.6 mt -65.47 -50.65 64.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.7 mtt-85 -60.87 -51.05 70.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -129.29 126.01 38.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -101.01 18.59 19.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.432 ' O ' ' NH1' ' A' ' 82' ' ' ARG . 62.9 m -101.25 17.97 21.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.029 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -103.89 -60.7 1.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.807 HG11 ' CD2' ' A' ' 78' ' ' PHE . 12.7 t -130.82 147.96 33.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.9 t -112.41 151.45 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.259 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.549 HG21 ' CB ' ' A' ' 55' ' ' PHE . 78.2 t -110.18 135.67 48.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -141.95 128.29 19.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.289 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.04 30.28 3.48 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.546 1.154 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 49' ' ' LEU . 7.7 mt -101.64 164.9 14.99 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.503 0.767 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.456 ' HG2' HG21 ' A' ' 53' ' ' VAL . 18.4 Cg_endo -74.99 160.45 40.17 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.537 1.809 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -60.68 131.43 50.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 60.67 50.28 69.28 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.456 HG21 ' HG2' ' A' ' 50' ' ' PRO . 88.3 t -148.43 136.4 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.474 0.749 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -104.98 174.53 5.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.796 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 43.4 t80 -85.92 15.38 4.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -51.86 163.86 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.447 ' ND1' ' OE2' ' A' ' 59' ' ' GLU . 1.7 t-80 -42.08 143.55 1.0 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.636 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.689 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.1 Cg_endo -75.04 -28.33 9.19 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.532 1.806 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.447 ' OE2' ' ND1' ' A' ' 57' ' ' HIS . 10.9 pt-20 -51.1 -20.39 1.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 61' ' ' TYR . 55.4 m-80 -89.91 -47.59 7.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.689 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 19.1 m-30 -37.33 146.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.432 ' C ' ' N ' ' A' ' 64' ' ' ALA . 1.5 m-20 -78.79 148.63 32.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.456 HD13 ' O ' ' A' ' 63' ' ' LEU . 2.1 tm? -40.64 -29.52 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.432 ' N ' ' C ' ' A' ' 62' ' ' ASP . . . -73.89 -62.35 1.53 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 53.0 m -46.8 -46.69 20.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.386 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 42.3 mt -51.25 -58.86 5.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.419 ' HD2' HD22 ' A' ' 8' ' ' LEU . 1.3 mptp? -61.77 -32.93 73.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.423 ' O ' ' N ' ' A' ' 72' ' ' ASN . 62.0 t90 -63.19 -59.19 5.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 107.982 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.564 ' CD1' ' CE2' ' A' ' 61' ' ' TYR . 39.7 mt -43.26 -53.44 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.482 ' CD1' HD23 ' A' ' 8' ' ' LEU . 55.1 mt -59.87 -40.43 88.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.67 -12.49 61.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.331 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 68' ' ' TRP . 5.3 m-80 -140.88 44.91 1.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 11.0 pttp -83.99 -42.49 16.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.347 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.44 -25.67 6.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.18 -25.57 43.74 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.126 . . . . 0.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.457 ' CD1' HG23 ' A' ' 69' ' ' ILE . 66.4 mt -72.94 124.82 30.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 0.782 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.1 m -140.66 142.48 34.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.018 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.807 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.2 OUTLIER -98.3 110.69 23.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 111.043 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.439 ' N ' HD13 ' A' ' 79' ' ' ILE . 5.6 mm -85.06 92.15 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.757 HD13 HG22 ' A' ' 44' ' ' VAL . 1.0 OUTLIER -65.9 140.3 19.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -124.8 -50.79 1.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.432 ' NH1' ' O ' ' A' ' 42' ' ' SER . 0.0 OUTLIER -163.49 156.36 15.92 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.264 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 174.7 12.33 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.444 1.76 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.561 ' CE2' ' HB3' ' A' ' 36' ' ' LYS . 53.7 m-85 -92.25 172.52 8.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.977 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.7 pp -107.43 122.41 46.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.249 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 160.1 160.36 10.5 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.524 1.14 . . . . 0.0 110.953 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -47.76 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.488 1.783 . . . . 0.0 110.979 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 51.74 82.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.98 133.51 4.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.006 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.1 102.73 2.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.311 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -175.3 150.2 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 127.05 144.99 6.13 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.531 1.145 . . . . 0.0 111.031 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -142.77 -117.68 1.28 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.4 m -111.35 146.97 36.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 0.768 . . . . 0.0 109.988 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -109.82 99.68 1.24 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.124 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 176.57 9.73 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.491 1.785 . . . . 0.0 111.035 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.5 m -168.01 -55.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.979 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.26 -58.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.01 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 O-C-N 124.525 1.141 . . . . 0.0 110.951 179.932 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.1 p -116.28 147.8 41.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 0.764 . . . . 0.0 110.004 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.3 p -128.82 -60.0 1.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.955 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.48 -126.03 1.35 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.461 1.1 . . . . 0.0 111.008 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.8 p -112.47 142.85 44.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 0.737 . . . . 0.0 109.981 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.1 t -48.38 115.19 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.005 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.91 -169.6 32.5 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.474 ' CD2' ' HG3' ' A' ' 67' ' ' LYS . 0.6 OUTLIER -42.27 -57.31 2.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 109.306 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -38.4 -49.77 1.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 110.275 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 13' ' ' GLU . 40.6 tptt -69.6 -48.61 59.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -43.82 -46.06 7.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.474 HG11 ' HB3' ' A' ' 58' ' ' PRO . 51.3 t -63.13 -40.31 88.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.471 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 2.3 mt-10 -69.79 -31.76 69.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 10' ' ' LYS . 12.3 t0 -69.16 -23.84 63.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 73' ' ' LYS . 44.0 t80 -83.26 -64.85 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.43 ' CD1' ' HE1' ' A' ' 55' ' ' PHE . 6.9 m-85 -36.46 -45.21 0.48 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 75.7 m -56.28 -62.35 1.77 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.096 . . . . 0.0 108.258 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -39.77 -48.23 2.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 22' ' ' LYS . 6.9 m -53.91 -69.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 108.267 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.592 ' CE2' ' HD3' ' A' ' 33' ' ' PRO . 5.0 t80 -40.41 -37.64 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.978 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.477 ' O ' HG22 ' A' ' 26' ' ' THR . . . -70.72 -43.07 60.65 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -66.03 -27.19 67.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 0.767 . . . . 0.0 109.267 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.36 -46.08 14.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.549 HD13 HG21 ' A' ' 30' ' ' VAL . 6.0 mt -57.81 -27.73 63.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.95 29.74 8.88 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.437 1.085 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.489 ' OG1' HG22 ' A' ' 28' ' ' VAL . 6.8 t -107.44 172.49 6.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 0.796 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 38.2 p -112.78 18.15 18.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 110.422 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.489 HG22 ' OG1' ' A' ' 26' ' ' THR . 17.4 m -129.93 -175.34 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 80.2 mtp -96.64 130.49 43.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.549 HG21 HD13 ' A' ' 24' ' ' LEU . 23.9 t -110.16 131.31 22.07 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 18.3 Cg_endo -75.03 105.94 2.18 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.516 1.798 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.68 HG11 ' CZ ' ' A' ' 55' ' ' PHE . 66.8 t -47.83 118.19 5.97 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 109.318 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.592 ' HD3' ' CE2' ' A' ' 20' ' ' TYR . 18.2 Cg_endo -75.01 74.62 3.95 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.58 1.831 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.531 ' CD1' ' O ' ' A' ' 32' ' ' VAL . 97.6 m-85 -53.97 -63.07 1.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -37.67 -31.58 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 110.308 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 34' ' ' TYR . 15.4 mttt -80.67 -68.87 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 15.9 mmm -48.66 -44.76 37.92 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 0.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 38' ' ' LEU . 15.1 mt -54.15 -36.7 63.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.4 mtt85 -77.15 -46.9 21.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.272 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -140.27 118.08 11.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -89.84 17.52 6.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 m -91.91 31.1 1.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 110.028 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -120.19 -62.49 1.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.907 HG11 ' CD2' ' A' ' 78' ' ' PHE . 12.9 t -124.72 143.36 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.6 t -106.62 151.18 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.58 HG21 ' CB ' ' A' ' 55' ' ' PHE . 72.7 t -112.36 137.21 46.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.258 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -145.51 127.24 15.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.128 . . . . 0.0 110.291 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.78 30.73 3.38 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.562 1.164 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.417 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 9.2 mt -101.82 165.09 14.59 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.469 0.747 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.516 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.3 Cg_endo -75.03 154.09 42.1 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.561 1.821 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.73 132.14 45.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 59.31 50.25 69.79 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.464 1.103 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.516 HG11 ' HG2' ' A' ' 50' ' ' PRO . 94.4 t -148.37 127.34 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 0.786 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -95.13 176.25 6.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.254 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.68 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 35.0 t80 -88.86 14.52 10.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 111.036 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -49.25 161.82 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.424 ' ND1' ' HD2' ' A' ' 58' ' ' PRO . 1.7 t-80 -40.71 144.05 0.64 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 109.585 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.698 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -75.05 -28.34 9.17 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.532 1.806 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.83 -21.09 1.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 -88.32 -47.61 8.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.698 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 20.7 m-30 -39.31 141.68 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.446 ' C ' ' N ' ' A' ' 64' ' ' ALA . 4.3 m-20 -74.05 145.69 44.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.8 tp -39.41 -30.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.446 ' N ' ' C ' ' A' ' 62' ' ' ASP . . . -71.09 -60.06 2.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 60.1 m -49.47 -51.03 38.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.399 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 39.4 mt -46.42 -52.71 12.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.282 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.474 ' HG3' ' CD2' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -66.56 -31.88 72.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 58.0 t90 -63.91 -58.58 6.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 108.005 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 73' ' ' LYS . 30.5 mt -44.12 -52.91 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 31.4 mt -60.46 -38.28 83.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.94 -10.01 59.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -147.27 46.33 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 15' ' ' TYR . 11.1 pttp -84.56 -40.52 17.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.02 -27.7 5.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -82.87 -25.75 48.24 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.462 HD12 HG23 ' A' ' 69' ' ' ILE . 67.3 mt -72.86 123.69 28.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.773 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.9 p -138.03 142.3 40.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.968 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.907 ' CD2' HG11 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -98.55 104.18 16.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.165 . . . . 0.0 110.998 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.464 HD13 ' N ' ' A' ' 79' ' ' ILE . 5.2 mm -80.66 88.34 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.536 ' CD1' HG22 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -63.35 122.93 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 22.3 m-20 -105.44 -42.62 5.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.29 156.19 4.44 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -179.75 5.29 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.479 1.778 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.56 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 57.1 m-85 -94.95 -176.57 3.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 110.958 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -133.16 137.66 46.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 148.48 166.16 12.66 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.526 1.141 . . . . 0.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 165.86 30.45 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.525 1.803 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -155.26 148.03 24.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.302 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.58 159.92 31.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.958 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -178.86 111.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.335 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -141.85 164.56 29.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 145.86 139.32 3.35 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.457 1.098 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 162.84 156.72 8.67 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.77 -172.6 2.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 0.732 . . . . 0.0 109.997 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -141.37 103.06 0.32 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.469 1.106 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 80.79 2.37 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.498 1.788 . . . . 0.0 110.974 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.8 OUTLIER -170.7 104.46 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.987 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 97' ' ' SER . 1.4 t -39.13 99.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.975 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 97' ' ' SER . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.438 1.086 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 stop_ save_